1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C18H24N2S — CID 79972660

IUPAC1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H24N2S/c1-13(18-8-5-11-21-18)20(2)17(12-19)16-7-4-3-6-15(16)14-9-10-14/h3-8,11,13-14,17H,9-10,12,19H2,1-2H3
InChIKeyKNAHZTBNQNSQIF-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.32
Rot. Bonds6

About 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79972660) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79972660
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)C(CN)c1ccccc1C1CC1
InChIInChI=1S/C18H24N2S/c1-13(18-8-5-11-21-18)20(2)17(12-19)16-7-4-3-6-15(16)14-9-10-14/h3-8,11,13-14,17H,9-10,12,19H2,1-2H3
InChIKeyKNAHZTBNQNSQIF-UHFFFAOYSA-N
XLogP4.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-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

1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 79983171
N-cyclohexyl-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79983610
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 54983458
1-(2-cyclopropylphenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 79982911
N-[(4-bromothiophen-2-yl)methyl]-1-(2-cyclopropylphenyl)-N-methylethane-1,2-diamine
CID 79972870
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817
1-(2-cyclopropylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 79970674
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 83230279
1-[2-amino-1-(2-cyclopropylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 79983177
1-(2-cyclopropylphenyl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79971747
N-methyl-N-(2-methylcyclohexyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55004874

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79972660) is 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(c1cccs1)N(C)C(CN)c1ccccc1C1CC1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is KNAHZTBNQNSQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13(18-8-5-11-21-18)20(2)17(12-19)16-7-4-3-6-15(16)14-9-10-14/h3-8,11,13-14,17H,9-10,12,19H2,1-2H3.
What are the key properties of 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 300.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79972660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).