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

C17H25NO — CID 79976853

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(C3CC3)cc2)C1
InChIInChI=1S/C17H25NO/c1-12-8-9-17(10-12,11-18)16(19)15-6-4-14(5-7-15)13-2-3-13/h4-7,12-13,16,19H,2-3,8-11,18H2,1H3
InChIKeyGHQYHQYESWASSZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.36
Rot. Bonds4

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

[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol (PubChem CID 79976853) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
PubChem CID79976853
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
SMILESCC1CCC(CN)(C(O)c2ccc(C3CC3)cc2)C1
InChIInChI=1S/C17H25NO/c1-12-8-9-17(10-12,11-18)16(19)15-6-4-14(5-7-15)13-2-3-13/h4-7,12-13,16,19H,2-3,8-11,18H2,1H3
InChIKeyGHQYHQYESWASSZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzhydrol, alpha-(2-amino-1-methylethyl)-4,4'-dimethyl-
CID 203338
2-Amino-1-(4-methylphenyl)ethan-1-ol
CID 3519929
(1R)-2-amino-1-(4-methylphenyl)ethan-1-ol
CID 12433514
(E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 25022350
(R,E)-3-Amino-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 25101343
(S,E)-3-amino-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 25101344
(E)-3-Amino-2-methyl-1-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)propan-1-ol
CID 57766491
1-(4-Cyclohexylphenyl)-3-(dimethylamino)-2,2-dimethylpropan-1-ol
CID 40666
2-Amino-1-(4-ethylphenyl)ethan-1-ol
CID 16768294
(1-(Aminomethyl)cyclopropyl)(phenyl)methanol
CID 71756940
2-Amino-1-(4-cyclopropylphenyl)ethan-1-ol
CID 79984821
3-Amino-2-methyl-1-phenylpropan-1-ol
CID 13077669

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol (CID 79976853) is [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol is CC1CCC(CN)(C(O)c2ccc(C3CC3)cc2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol?
The InChIKey is GHQYHQYESWASSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-9-17(10-12,11-18)16(19)15-6-4-14(5-7-15)13-2-3-13/h4-7,12-13,16,19H,2-3,8-11,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol has a molecular weight of 259.39 g/mol, XLogP of 3.36, 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-cyclopropylphenyl)methanol is sourced from PubChem (CID 79976853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).