1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C17H21ClN2S — CID 62644706

IUPAC1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESNC(CCN(Cc1ccsc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN2S/c18-16-4-2-1-3-15(16)17(19)7-9-20(14-5-6-14)11-13-8-10-21-12-13/h1-4,8,10,12,14,17H,5-7,9,11,19H2
InChIKeyJTLVNXRHEPLUIJ-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.46
Rot. Bonds7

About 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 62644706) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID62644706
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESNC(CCN(Cc1ccsc1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN2S/c18-16-4-2-1-3-15(16)17(19)7-9-20(14-5-6-14)11-13-8-10-21-12-13/h1-4,8,10,12,14,17H,5-7,9,11,19H2
InChIKeyJTLVNXRHEPLUIJ-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62630679
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
CID 65296493

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 62644706) is 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is NC(CCN(Cc1ccsc1)C1CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is JTLVNXRHEPLUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c18-16-4-2-1-3-15(16)17(19)7-9-20(14-5-6-14)11-13-8-10-21-12-13/h1-4,8,10,12,14,17H,5-7,9,11,19H2.
What are the key properties of 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 320.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-cyclopropyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62644706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).