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

C14H23NO — CID 103631788

IUPAC4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
SMILESCc1cccc(CNCC(O)CC(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(2)7-14(16)10-15-9-13-6-4-5-12(3)8-13/h4-6,8,11,14-16H,7,9-10H2,1-3H3
InChIKeyIANOLLIQFDKSMQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.49
Rot. Bonds6

About 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol

4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol (PubChem CID 103631788) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
PubChem CID103631788
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
SMILESCc1cccc(CNCC(O)CC(C)C)c1
InChIInChI=1S/C14H23NO/c1-11(2)7-14(16)10-15-9-13-6-4-5-12(3)8-13/h4-6,8,11,14-16H,7,9-10H2,1-3H3
InChIKeyIANOLLIQFDKSMQ-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
1-(2-hydroxy-4-methylpentyl)-3-[(3-methylphenyl)methyl]urea
CID 110910094
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 43110036
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201
1-[(3-methylphenyl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54937990
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol (CID 103631788) is 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol is Cc1cccc(CNCC(O)CC(C)C)c1.
What is the InChIKey of 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol?
The InChIKey is IANOLLIQFDKSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)7-14(16)10-15-9-13-6-4-5-12(3)8-13/h4-6,8,11,14-16H,7,9-10H2,1-3H3.
What are the key properties of 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol?
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 103631788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).