3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol

C17H27NO — CID 103271353

IUPAC3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
SMILESCc1cccc(CCC(C)NCC2CCC(O)C2)c1
InChIInChI=1S/C17H27NO/c1-13-4-3-5-15(10-13)7-6-14(2)18-12-16-8-9-17(19)11-16/h3-5,10,14,16-19H,6-9,11-12H2,1-2H3
InChIKeyOABAKDAMVZBIJK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.07
Rot. Bonds6

About 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol

3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol (PubChem CID 103271353) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
PubChem CID103271353
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
SMILESCc1cccc(CCC(C)NCC2CCC(O)C2)c1
InChIInChI=1S/C17H27NO/c1-13-4-3-5-15(10-13)7-6-14(2)18-12-16-8-9-17(19)11-16/h3-5,10,14,16-19H,6-9,11-12H2,1-2H3
InChIKeyOABAKDAMVZBIJK-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol
CID 122649220
(E,2R,3R,8S,10S)-8,10-dimethyl-2-(methylamino)-1-phenyldodec-6-en-3-ol
CID 51351565
(2S,3S)-3-methyl-2-{[1-methyl-2-(4-methylphenyl)ethyl]amino}-1-pentanol
CID 45930411
(1S,2S)-2-(((R)-1-Phenylethyl)amino)cyclopentan-1-ol, AldrichCPR
CID 70013155
(1R,2S,3R,4R)-4-(3-methylphenyl)-3-(2-methylpropylamino)cyclopentane-1,2-diol
CID 71693870
(1R,2S,3R,4R)-3-[(2-hydroxy-2-methylpropyl)amino]-4-(3-methylphenyl)cyclopentane-1,2-diol
CID 71693871
trans (+/-)-2-((R)-1-Phenylethylamino)cyclopentanol
CID 10171980
4-[[(2S)-4-phenylbutan-2-yl]amino]cyclohexan-1-ol
CID 26458262
2-Methyl-6-[(1-methyl-3-phenylpropyl)amino]-2-heptanol
CID 45932637
5-(3,3-Dimethylbutan-2-ylamino)-4-phenylpentan-2-ol
CID 75428681
(3R)-3-phenyl-4-(propan-2-ylamino)butan-1-ol
CID 97336234
5-(13-Tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol
CID 106122690

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol (CID 103271353) is 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol is Cc1cccc(CCC(C)NCC2CCC(O)C2)c1.
What is the InChIKey of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol?
The InChIKey is OABAKDAMVZBIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-4-3-5-15(10-13)7-6-14(2)18-12-16-8-9-17(19)11-16/h3-5,10,14,16-19H,6-9,11-12H2,1-2H3.
What are the key properties of 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol?
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).