N-[1-(4-methoxyphenyl)propyl]butan-2-amine

C14H23NO — CID 43190279

IUPACN-[1-(4-methoxyphenyl)propyl]butan-2-amine
SMILESCCC(C)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-5-11(3)15-14(6-2)12-7-9-13(16-4)10-8-12/h7-11,14-15H,5-6H2,1-4H3
InChIKeyJDVANLYGNYJXGY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]butan-2-amine

N-[1-(4-methoxyphenyl)propyl]butan-2-amine (PubChem CID 43190279) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]butan-2-amine
PubChem CID43190279
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[1-(4-methoxyphenyl)propyl]butan-2-amine
SMILESCCC(C)NC(CC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-5-11(3)15-14(6-2)12-7-9-13(16-4)10-8-12/h7-11,14-15H,5-6H2,1-4H3
InChIKeyJDVANLYGNYJXGY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-methoxyphenyl)propyl]butan-2-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

(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
N-[1-(4-methoxyphenyl)propyl]hex-5-en-2-amine
CID 112551779
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
N-[1-(4-methoxyphenyl)propyl]-2,6-dimethylheptan-4-amine
CID 43720355
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]butan-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]butan-2-amine (CID 43190279) is N-[1-(4-methoxyphenyl)propyl]butan-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]butan-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]butan-2-amine is CCC(C)NC(CC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]butan-2-amine?
The InChIKey is JDVANLYGNYJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)15-14(6-2)12-7-9-13(16-4)10-8-12/h7-11,14-15H,5-6H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propyl]butan-2-amine?
N-[1-(4-methoxyphenyl)propyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]butan-2-amine is sourced from PubChem (CID 43190279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).