1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol

C23H30N2O — CID 143036912

IUPAC1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
SMILESCN[C@H]1C=CN(CC(c2ccc3ccccc3c2)C2(O)CCCCC2)C1
InChIInChI=1S/C23H30N2O/c1-24-21-11-14-25(16-21)17-22(23(26)12-5-2-6-13-23)20-10-9-18-7-3-4-8-19(18)15-20/h3-4,7-11,14-15,21-22,24,26H,2,5-6,12-13,16-17H2,1H3/t21-,22?/m0/s1
InChIKeySCAKUHDREZGMKF-HMTLIYDFSA-N
MW350.51 g/mol
LogP4.04
Rot. Bonds5

About 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol

1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol (PubChem CID 143036912) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
PubChem CID143036912
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
SMILESCN[C@H]1C=CN(CC(c2ccc3ccccc3c2)C2(O)CCCCC2)C1
InChIInChI=1S/C23H30N2O/c1-24-21-11-14-25(16-21)17-22(23(26)12-5-2-6-13-23)20-10-9-18-7-3-4-8-19(18)15-20/h3-4,7-11,14-15,21-22,24,26H,2,5-6,12-13,16-17H2,1H3/t21-,22?/m0/s1
InChIKeySCAKUHDREZGMKF-HMTLIYDFSA-N
XLogP4.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclohexan-1-ol;hydrochloride
CID 68855549
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclobutan-1-ol
CID 59701242
1-[2-[[(2R)-2-aminopropyl]-ethylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
CID 143037019
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
CID 68852175
1-[2-[4-(dimethylamino)piperidin-1-yl]-1-(6-methoxynaphthalen-2-yl)ethyl]cyclohexan-1-ol
CID 11418428
1-[2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701268
N-methyl-1-(1-methylcyclohexyl)-1-naphthalen-2-ylmethanamine
CID 106830028
1-[1-[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855415
1-[(1S)-2-[4-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853169
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-naphthalen-2-ylmethanamine
CID 116958499
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63219539
1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine
CID 89258833

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol (CID 143036912) is 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol is CN[C@H]1C=CN(CC(c2ccc3ccccc3c2)C2(O)CCCCC2)C1.
What is the InChIKey of 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The InChIKey is SCAKUHDREZGMKF-HMTLIYDFSA-N. The full InChI is InChI=1S/C23H30N2O/c1-24-21-11-14-25(16-21)17-22(23(26)12-5-2-6-13-23)20-10-9-18-7-3-4-8-19(18)15-20/h3-4,7-11,14-15,21-22,24,26H,2,5-6,12-13,16-17H2,1H3/t21-,22?/m0/s1.
What are the key properties of 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol has a molecular weight of 350.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-(methylamino)-2,3-dihydropyrrol-1-yl]-1-naphthalen-2-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 143036912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).