4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline

C18H21NO — CID 166807516

IUPAC4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCNc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C18H21NO/c1-20-18-4-2-3-14(13-18)11-12-19-17-9-7-16(8-10-17)15-5-6-15/h2-4,7-10,13,15,19H,5-6,11-12H2,1H3
InChIKeyQSHBXINDDYOEDP-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.23
Rot. Bonds6

About 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline

4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline (PubChem CID 166807516) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
PubChem CID166807516
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(CCNc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C18H21NO/c1-20-18-4-2-3-14(13-18)11-12-19-17-9-7-16(8-10-17)15-5-6-15/h2-4,7-10,13,15,19H,5-6,11-12H2,1H3
InChIKeyQSHBXINDDYOEDP-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline 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

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
CID 112983566
1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
CID 112983603
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
1-(4-cyclopropylphenyl)-2-(3-methoxyphenyl)ethanol
CID 79980257
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112983618

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline (CID 166807516) is 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline is COc1cccc(CCNc2ccc(C3CC3)cc2)c1.
What is the InChIKey of 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is QSHBXINDDYOEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-18-4-2-3-14(13-18)11-12-19-17-9-7-16(8-10-17)15-5-6-15/h2-4,7-10,13,15,19H,5-6,11-12H2,1H3.
What are the key properties of 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline?
4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 166807516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).