3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen

C24H27F2N — CID 166475844

IUPAC3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen
SMILESC[C@@H](NCCCc1ccc2c(c1)C(F)(F)CC2)c1cccc2ccccc12.[H][H]
InChIInChI=1S/C24H25F2N.H2/c1-17(21-10-4-8-19-7-2-3-9-22(19)21)27-15-5-6-18-11-12-20-13-14-24(25,26)23(20)16-18;/h2-4,7-12,16-17,27H,5-6,13-15H2,1H3;1H/t17-;/m1./s1
InChIKeyFQDFZKFECZHMBF-UNTBIKODSA-N
MW367.48 g/mol
LogP6.41
Rot. Bonds6

About 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen

3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen (PubChem CID 166475844) has the molecular formula C24H27F2N and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen
PubChem CID166475844
Molecular FormulaC24H27F2N
Molecular Weight367.48 g/mol
Exact Mass367.21
IUPAC Name3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen
SMILESC[C@@H](NCCCc1ccc2c(c1)C(F)(F)CC2)c1cccc2ccccc12.[H][H]
InChIInChI=1S/C24H25F2N.H2/c1-17(21-10-4-8-19-7-2-3-9-22(19)21)27-15-5-6-18-11-12-20-13-14-24(25,26)23(20)16-18;/h2-4,7-12,16-17,27H,5-6,13-15H2,1H3;1H/t17-;/m1./s1
InChIKeyFQDFZKFECZHMBF-UNTBIKODSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N-[(1R)-1-naphthalen-1-ylethyl]-3-[2,3,4,6-tetradeuterio-5-(trifluoromethyl)phenyl]propan-1-amine
CID 46241260
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
N-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 75180909
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen?
The IUPAC name of 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen (CID 166475844) is 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen is C[C@@H](NCCCc1ccc2c(c1)C(F)(F)CC2)c1cccc2ccccc12.[H][H].
What is the InChIKey of 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen?
The InChIKey is FQDFZKFECZHMBF-UNTBIKODSA-N. The full InChI is InChI=1S/C24H25F2N.H2/c1-17(21-10-4-8-19-7-2-3-9-22(19)21)27-15-5-6-18-11-12-20-13-14-24(25,26)23(20)16-18;/h2-4,7-12,16-17,27H,5-6,13-15H2,1H3;1H/t17-;/m1./s1.
What are the key properties of 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen?
3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen has a molecular weight of 367.48 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 166475844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).