N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline

C14H21NO2 — CID 64919002

IUPACN-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
SMILESCCC(Nc1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C14H21NO2/c1-4-12(10-5-6-10)15-11-7-8-13(16-2)14(9-11)17-3/h7-10,12,15H,4-6H2,1-3H3
InChIKeyKHEWANUGUUSUEI-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds6

About N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline

N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline (PubChem CID 64919002) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
PubChem CID64919002
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
SMILESCCC(Nc1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C14H21NO2/c1-4-12(10-5-6-10)15-11-7-8-13(16-2)14(9-11)17-3/h7-10,12,15H,4-6H2,1-3H3
InChIKeyKHEWANUGUUSUEI-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline 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-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
CID 64918846
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
4-(1-cyclopropylpropylamino)phenol
CID 64918837
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
4-bromo-N-(1-cyclopropylpropyl)-3-fluoroaniline
CID 65436466
6-bromo-N-(1-cyclopropylpropyl)naphthalen-2-amine
CID 81260160
methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline?
The IUPAC name of N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline (CID 64919002) is N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline is CCC(Nc1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline?
The InChIKey is KHEWANUGUUSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12(10-5-6-10)15-11-7-8-13(16-2)14(9-11)17-3/h7-10,12,15H,4-6H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline?
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline has a molecular weight of 235.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline is sourced from PubChem (CID 64919002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).