[2-methyl-4-(4-methylpentoxy)phenyl]methanamine

C14H23NO — CID 81279223

IUPAC[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
SMILESCc1cc(OCCCC(C)C)ccc1CN
InChIInChI=1S/C14H23NO/c1-11(2)5-4-8-16-14-7-6-13(10-15)12(3)9-14/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyIIPOYFPNPJHSHC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.27
Rot. Bonds6

About [2-methyl-4-(4-methylpentoxy)phenyl]methanamine

[2-methyl-4-(4-methylpentoxy)phenyl]methanamine (PubChem CID 81279223) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [2-methyl-4-(4-methylpentoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
PubChem CID81279223
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
SMILESCc1cc(OCCCC(C)C)ccc1CN
InChIInChI=1S/C14H23NO/c1-11(2)5-4-8-16-14-7-6-13(10-15)12(3)9-14/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyIIPOYFPNPJHSHC-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
2-bromo-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972
[2-methyl-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 81278557
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
1-bromo-2-(bromomethyl)-4-(4-methylpentoxy)benzene
CID 83157625
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
CID 141016382
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 81279315
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-methylpentoxy)phenyl]methanamine?
The IUPAC name of [2-methyl-4-(4-methylpentoxy)phenyl]methanamine (CID 81279223) is [2-methyl-4-(4-methylpentoxy)phenyl]methanamine.
What is the SMILES notation for [2-methyl-4-(4-methylpentoxy)phenyl]methanamine?
The canonical SMILES for [2-methyl-4-(4-methylpentoxy)phenyl]methanamine is Cc1cc(OCCCC(C)C)ccc1CN.
What is the InChIKey of [2-methyl-4-(4-methylpentoxy)phenyl]methanamine?
The InChIKey is IIPOYFPNPJHSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)5-4-8-16-14-7-6-13(10-15)12(3)9-14/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of [2-methyl-4-(4-methylpentoxy)phenyl]methanamine?
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-methylpentoxy)phenyl]methanamine is sourced from PubChem (CID 81279223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).