4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine

C14H23NO — CID 117241951

IUPAC4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
SMILESCc1ccc(OCC(CN)CC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)8-13(9-15)10-16-14-6-4-12(3)5-7-14/h4-7,11,13H,8-10,15H2,1-3H3
InChIKeyIOVPTGFDHXKZPR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds6

About 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine

4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine (PubChem CID 117241951) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
PubChem CID117241951
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
SMILESCc1ccc(OCC(CN)CC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)8-13(9-15)10-16-14-6-4-12(3)5-7-14/h4-7,11,13H,8-10,15H2,1-3H3
InChIKeyIOVPTGFDHXKZPR-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
4-methyl-2-[(4-methylphenoxy)methyl]pentanoic acid
CID 117242212
2-[2-(aminomethyl)-4-methylpentoxy]phenol
CID 117241878
2-[2-(4-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66217892
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
5-methyl-N-[1-(4-methylphenoxy)propan-2-yl]hexan-2-amine
CID 63452663
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
2-(2,4-dimethylphenyl)-3-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83972858
2-(3-chlorophenyl)-3-(4-methylphenoxy)propan-1-amine
CID 117243107

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine (CID 117241951) is 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine is Cc1ccc(OCC(CN)CC(C)C)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine?
The InChIKey is IOVPTGFDHXKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)8-13(9-15)10-16-14-6-4-12(3)5-7-14/h4-7,11,13H,8-10,15H2,1-3H3.
What are the key properties of 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine?
4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine is sourced from PubChem (CID 117241951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).