1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine

C18H22N2 — CID 79983171

IUPAC1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H22N2/c1-20(15-7-3-2-4-8-15)18(13-19)17-10-6-5-9-16(17)14-11-12-14/h2-10,14,18H,11-13,19H2,1H3
InChIKeyHWAGYFUCXJYFOG-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.70
Rot. Bonds5

About 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine

1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine (PubChem CID 79983171) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
PubChem CID79983171
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
SMILESCN(c1ccccc1)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H22N2/c1-20(15-7-3-2-4-8-15)18(13-19)17-10-6-5-9-16(17)14-11-12-14/h2-10,14,18H,11-13,19H2,1H3
InChIKeyHWAGYFUCXJYFOG-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79972660
1-(2-cyclopropylphenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 79982911
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674
N-[(4-bromothiophen-2-yl)methyl]-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79972870
1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79971747
ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
CID 79982330
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
2-[2-amino-1-(2-cyclopropylphenyl)ethoxy]ethanol
CID 103376735
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
CID 82043143

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine (CID 79983171) is 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine is CN(c1ccccc1)C(CN)c1ccccc1C1CC1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
The InChIKey is HWAGYFUCXJYFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(15-7-3-2-4-8-15)18(13-19)17-10-6-5-9-16(17)14-11-12-14/h2-10,14,18H,11-13,19H2,1H3.
What are the key properties of 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine?
1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 79983171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).