2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol

C16H25NO — CID 106507357

IUPAC2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)(CO)CC2CCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-5-4-8-15(9-13)16(11-17,12-18)10-14-6-2-3-7-14/h4-5,8-9,14,18H,2-3,6-7,10-12,17H2,1H3
InChIKeyDRVZBHBNVUBFNJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.76
Rot. Bonds5

About 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol

2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol (PubChem CID 106507357) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
PubChem CID106507357
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(CN)(CO)CC2CCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-5-4-8-15(9-13)16(11-17,12-18)10-14-6-2-3-7-14/h4-5,8-9,14,18H,2-3,6-7,10-12,17H2,1H3
InChIKeyDRVZBHBNVUBFNJ-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
CID 114191689
4-[3-bromo-2-(bromomethyl)-2-(3-methylphenyl)propyl]oxane
CID 79456065
4-[3-chloro-2-(chloromethyl)-2-(3-methylphenyl)propyl]oxane
CID 79453569
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
CID 106490812
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol (CID 106507357) is 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(CN)(CO)CC2CCCC2)c1.
What is the InChIKey of 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol?
The InChIKey is DRVZBHBNVUBFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-4-8-15(9-13)16(11-17,12-18)10-14-6-2-3-7-14/h4-5,8-9,14,18H,2-3,6-7,10-12,17H2,1H3.
What are the key properties of 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 106507357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).