1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol

C15H23NO — CID 81355924

IUPAC1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCc1ccc([C@H](C)NCC2(O)CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-12-5-7-14(8-6-12)13(2)16-11-15(17)9-3-4-10-15/h5-8,13,16-17H,3-4,9-11H2,1-2H3/t13-/m0/s1
InChIKeyMMUWIVYOGZPRSZ-ZDUSSCGKSA-N
MW233.36 g/mol
LogP2.95
Rot. Bonds4

About 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol

1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 81355924) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
PubChem CID81355924
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCc1ccc([C@H](C)NCC2(O)CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-12-5-7-14(8-6-12)13(2)16-11-15(17)9-3-4-10-15/h5-8,13,16-17H,3-4,9-11H2,1-2H3/t13-/m0/s1
InChIKeyMMUWIVYOGZPRSZ-ZDUSSCGKSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[1-(4-propylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122937
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol (CID 81355924) is 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol is Cc1ccc([C@H](C)NCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is MMUWIVYOGZPRSZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-7-14(8-6-12)13(2)16-11-15(17)9-3-4-10-15/h5-8,13,16-17H,3-4,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 81355924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).