[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol

C16H23NO — CID 79976714

IUPAC[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
SMILESNCC1(C(O)c2cccc(C3CC3)c2)CCCC1
InChIInChI=1S/C16H23NO/c17-11-16(8-1-2-9-16)15(18)14-5-3-4-13(10-14)12-6-7-12/h3-5,10,12,15,18H,1-2,6-9,11,17H2
InChIKeyBJDLJVHNIRCHCG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol

[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol (PubChem CID 79976714) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
PubChem CID79976714
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol
SMILESNCC1(C(O)c2cccc(C3CC3)c2)CCCC1
InChIInChI=1S/C16H23NO/c17-11-16(8-1-2-9-16)15(18)14-5-3-4-13(10-14)12-6-7-12/h3-5,10,12,15,18H,1-2,6-9,11,17H2
InChIKeyBJDLJVHNIRCHCG-UHFFFAOYSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79977381
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
[1-(aminomethyl)-4-methylcyclohexyl]-(3-bromophenyl)methanol
CID 79136010
[1-(aminomethyl)cyclobutyl]-(3-phenoxyphenyl)methanol
CID 79123408
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
(3-cyclobutylphenyl)-(1-methoxycyclohexyl)methanol
CID 114602493
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138512
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol (CID 79976714) is [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol is NCC1(C(O)c2cccc(C3CC3)c2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol?
The InChIKey is BJDLJVHNIRCHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-11-16(8-1-2-9-16)15(18)14-5-3-4-13(10-14)12-6-7-12/h3-5,10,12,15,18H,1-2,6-9,11,17H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol?
[1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol has a molecular weight of 245.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(3-cyclopropylphenyl)methanol is sourced from PubChem (CID 79976714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).