2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol

C14H23NO — CID 106507318

IUPAC2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
SMILESCCCCC(CN)(CO)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-3-4-8-14(10-15,11-16)13-7-5-6-12(2)9-13/h5-7,9,16H,3-4,8,10-11,15H2,1-2H3
InChIKeySSKMBXRYNQJLLN-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.37
Rot. Bonds6

About 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol

2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol (PubChem CID 106507318) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
PubChem CID106507318
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
SMILESCCCCC(CN)(CO)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-3-4-8-14(10-15,11-16)13-7-5-6-12(2)9-13/h5-7,9,16H,3-4,8,10-11,15H2,1-2H3
InChIKeySSKMBXRYNQJLLN-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
1-[1-bromo-2-(bromomethyl)hexan-2-yl]-3-methylbenzene
CID 79456306
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
CID 106507357
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
2-butyl-2-(4-methylphenyl)propane-1,3-diol
CID 79449599
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol (CID 106507318) is 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol is CCCCC(CN)(CO)c1cccc(C)c1.
What is the InChIKey of 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol?
The InChIKey is SSKMBXRYNQJLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-8-14(10-15,11-16)13-7-5-6-12(2)9-13/h5-7,9,16H,3-4,8,10-11,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol?
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol is sourced from PubChem (CID 106507318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).