N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H18Cl2N2S — CID 61450702

IUPACN-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(c1ccc(Cl)cc1Cl)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H18Cl2N2S/c17-11-3-6-14(15(18)8-11)16(9-19)20(12-4-5-12)10-13-2-1-7-21-13/h1-3,6-8,12,16H,4-5,9-10,19H2
InChIKeyOZHTYPOSMAYQCY-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.72
Rot. Bonds6

About N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61450702) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61450702
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC NameN-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(c1ccc(Cl)cc1Cl)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H18Cl2N2S/c17-11-3-6-14(15(18)8-11)16(9-19)20(12-4-5-12)10-13-2-1-7-21-13/h1-3,6-8,12,16H,4-5,9-10,19H2
InChIKeyOZHTYPOSMAYQCY-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 106817331
N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450779
1-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81431527
N-cyclopropyl-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450741
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
N-cyclopropyl-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 82835500
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585830
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61450702) is N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCC(c1ccc(Cl)cc1Cl)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is OZHTYPOSMAYQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2S/c17-11-3-6-14(15(18)8-11)16(9-19)20(12-4-5-12)10-13-2-1-7-21-13/h1-3,6-8,12,16H,4-5,9-10,19H2.
What are the key properties of N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 341.31 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61450702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).