3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine

C14H21NO — CID 112507866

IUPAC3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(CC(CCN)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-16-14-6-2-11(3-7-14)10-13(8-9-15)12-4-5-12/h2-3,6-7,12-13H,4-5,8-10,15H2,1H3
InChIKeyFUEAQJHQTCQYCZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.61
Rot. Bonds6

About 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine

3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine (PubChem CID 112507866) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
PubChem CID112507866
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(CC(CCN)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-16-14-6-2-11(3-7-14)10-13(8-9-15)12-4-5-12/h2-3,6-7,12-13H,4-5,8-10,15H2,1H3
InChIKeyFUEAQJHQTCQYCZ-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-4-(4-methoxyphenyl)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

4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
2-cyclopropyl-3-(4-methoxyphenyl)propanal
CID 83832511
1-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylethane-1,2-diamine
CID 116651335
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
CID 82077917
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-methoxybenzene
CID 63520591
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
1-amino-3-(4-methoxyphenyl)propan-2-ol;hydrochloride
CID 67019748

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine (CID 112507866) is 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine is COc1ccc(CC(CCN)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine?
The InChIKey is FUEAQJHQTCQYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-16-14-6-2-11(3-7-14)10-13(8-9-15)12-4-5-12/h2-3,6-7,12-13H,4-5,8-10,15H2,1H3.
What are the key properties of 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine?
3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 112507866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).