1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol

C18H29NO2 — CID 79870746

IUPAC1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14(15-8-5-4-6-9-15)21-13-16(20)12-19-17-10-7-11-18(17,2)3/h4-6,8-9,14,16-17,19-20H,7,10-13H2,1-3H3
InChIKeyVAYFELJVXWAXDS-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.29
Rot. Bonds7

About 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol

1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 79870746) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID79870746
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CCCC1(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14(15-8-5-4-6-9-15)21-13-16(20)12-19-17-10-7-11-18(17,2)3/h4-6,8-9,14,16-17,19-20H,7,10-13H2,1-3H3
InChIKeyVAYFELJVXWAXDS-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
CID 79861761
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-(2,6-dichlorophenoxy)-3-[(2,2-dimethylcyclopentyl)amino]propan-2-ol
CID 79856856
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol (CID 79870746) is 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNC1CCCC1(C)C)c1ccccc1.
What is the InChIKey of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is VAYFELJVXWAXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(15-8-5-4-6-9-15)21-13-16(20)12-19-17-10-7-11-18(17,2)3/h4-6,8-9,14,16-17,19-20H,7,10-13H2,1-3H3.
What are the key properties of 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol?
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 291.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 79870746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).