3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol

C13H18ClNO — CID 115043423

IUPAC3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol
SMILESCC1(O)CCC(CN)(c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO/c1-12(16)5-6-13(8-12,9-15)10-3-2-4-11(14)7-10/h2-4,7,16H,5-6,8-9,15H2,1H3
InChIKeyMUPWYKDPULKNMX-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.47
Rot. Bonds2

About 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol

3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol (PubChem CID 115043423) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol
PubChem CID115043423
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol
SMILESCC1(O)CCC(CN)(c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO/c1-12(16)5-6-13(8-12,9-15)10-3-2-4-11(14)7-10/h2-4,7,16H,5-6,8-9,15H2,1H3
InChIKeyMUPWYKDPULKNMX-UHFFFAOYSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
4-[1-(aminomethyl)-3-hydroxy-3-methylcyclopentyl]phenol
CID 115032763
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide
CID 141211703
3-(aminomethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 115050777
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol (CID 115043423) is 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol is CC1(O)CCC(CN)(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol?
The InChIKey is MUPWYKDPULKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-12(16)5-6-13(8-12,9-15)10-3-2-4-11(14)7-10/h2-4,7,16H,5-6,8-9,15H2,1H3.
What are the key properties of 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol?
3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol has a molecular weight of 239.75 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(3-chlorophenyl)-1-methylcyclopentan-1-ol is sourced from PubChem (CID 115043423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).