1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine

C14H23NO — CID 82553641

IUPAC1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
SMILESCCCC(N)c1ccc(OC(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-5-6-14(15)13-8-7-12(9-11(13)4)16-10(2)3/h7-10,14H,5-6,15H2,1-4H3
InChIKeyNQLPQNDYMKCVRC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine

1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 82553641) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID82553641
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
SMILESCCCC(N)c1ccc(OC(C)C)cc1C
InChIInChI=1S/C14H23NO/c1-5-6-14(15)13-8-7-12(9-11(13)4)16-10(2)3/h7-10,14H,5-6,15H2,1-4H3
InChIKeyNQLPQNDYMKCVRC-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-amine
CID 82550097
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine (CID 82553641) is 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine is CCCC(N)c1ccc(OC(C)C)cc1C.
What is the InChIKey of 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is NQLPQNDYMKCVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-14(15)13-8-7-12(9-11(13)4)16-10(2)3/h7-10,14H,5-6,15H2,1-4H3.
What are the key properties of 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine?
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 82553641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).