[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol

C16H25NO — CID 79137757

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)C2(CN)CCC(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-3-13-4-6-14(7-5-13)15(18)16(11-17)9-8-12(2)10-16/h4-7,12,15,18H,3,8-11,17H2,1-2H3
InChIKeyRASUYJLBIOYLDU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds4

About [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol

[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol (PubChem CID 79137757) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
PubChem CID79137757
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)C2(CN)CCC(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-3-13-4-6-14(7-5-13)15(18)16(11-17)9-8-12(2)10-16/h4-7,12,15,18H,3,8-11,17H2,1-2H3
InChIKeyRASUYJLBIOYLDU-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(4-fluorophenyl)methanol
CID 97035266
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79137897
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(aminomethyl)-4-methylcyclohexyl]-(6-methoxy-3-pyridinyl)methanol
CID 114938871

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol (CID 79137757) is [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol is CCc1ccc(C(O)C2(CN)CCC(C)C2)cc1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol?
The InChIKey is RASUYJLBIOYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-4-6-14(7-5-13)15(18)16(11-17)9-8-12(2)10-16/h4-7,12,15,18H,3,8-11,17H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol is sourced from PubChem (CID 79137757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).