2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol

C14H23NO — CID 106506324

IUPAC2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-3-7-14(10-15,11-16)9-13-6-4-5-12(2)8-13/h4-6,8,16H,3,7,9-11,15H2,1-2H3
InChIKeyMOEODDDYHPPKOJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.28
Rot. Bonds6

About 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol

2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol (PubChem CID 106506324) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
PubChem CID106506324
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-3-7-14(10-15,11-16)9-13-6-4-5-12(2)8-13/h4-6,8,16H,3,7,9-11,15H2,1-2H3
InChIKeyMOEODDDYHPPKOJ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492
2-[(3-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450470
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-3-methylbenzene
CID 79453279
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
2-(aminomethyl)-3-methyl-2-[(3-methylphenyl)methyl]butanoic acid
CID 106488491
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
2,2-difluoro-4-(3-methylphenyl)butan-1-amine
CID 118527282
1-ethyl-3-methylbenzene;methanamine
CID 167447790

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol (CID 106506324) is 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol is CCCC(CN)(CO)Cc1cccc(C)c1.
What is the InChIKey of 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol?
The InChIKey is MOEODDDYHPPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-7-14(10-15,11-16)9-13-6-4-5-12(2)8-13/h4-6,8,16H,3,7,9-11,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol?
2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.28, 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)methyl]pentan-1-ol is sourced from PubChem (CID 106506324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).