N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine

C14H22N2O — CID 116950576

IUPACN'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CNC1CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-8-11(4-7-14(10)17-3)13(15-2)9-16-12-5-6-12/h4,7-8,12-13,15-16H,5-6,9H2,1-3H3
InChIKeyGVEVLVIBIIUPQN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds6

About N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine

N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine (PubChem CID 116950576) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
PubChem CID116950576
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCNC(CNC1CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-8-11(4-7-14(10)17-3)13(15-2)9-16-12-5-6-12/h4,7-8,12-13,15-16H,5-6,9H2,1-3H3
InChIKeyGVEVLVIBIIUPQN-UHFFFAOYSA-N
XLogP2.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine 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'-cyclopropyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950593
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43487404
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
N'-cyclopropyl-N-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 116950599
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
CID 116935183
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine (CID 116950576) is N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine is CNC(CNC1CC1)c1ccc(OC)c(C)c1.
What is the InChIKey of N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is GVEVLVIBIIUPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-11(4-7-14(10)17-3)13(15-2)9-16-12-5-6-12/h4,7-8,12-13,15-16H,5-6,9H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 116950576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).