[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol

C16H25NO — CID 79138726

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)C2(CN)CCC(C)C2)cc1C
InChIInChI=1S/C16H25NO/c1-11-6-7-16(9-11,10-17)15(18)14-5-4-12(2)13(3)8-14/h4-5,8,11,15,18H,6-7,9-10,17H2,1-3H3
InChIKeyNVYVBTHZOPLNKA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.10
Rot. Bonds3

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

[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol (PubChem CID 79138726) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
PubChem CID79138726
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)C2(CN)CCC(C)C2)cc1C
InChIInChI=1S/C16H25NO/c1-11-6-7-16(9-11,10-17)15(18)14-5-4-12(2)13(3)8-14/h4-5,8,11,15,18H,6-7,9-10,17H2,1-3H3
InChIKeyNVYVBTHZOPLNKA-UHFFFAOYSA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.10
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]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
[1-(aminomethyl)-3-methylcyclopentyl]-[4-(difluoromethoxy)phenyl]methanol
CID 79135427
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
CID 79136010
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-bromo-4-methylphenyl)methanol
CID 105404014
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
CID 79138278

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol (CID 79138726) is [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol is Cc1ccc(C(O)C2(CN)CCC(C)C2)cc1C.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol?
The InChIKey is NVYVBTHZOPLNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-7-16(9-11,10-17)15(18)14-5-4-12(2)13(3)8-14/h4-5,8,11,15,18H,6-7,9-10,17H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol has a molecular weight of 247.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 79138726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).