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

C15H19ClN2S — CID 62644997

IUPAC1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Cl)Cc1cccs1
InChIInChI=1S/C15H19ClN2S/c1-18(11-12-5-4-10-19-12)9-8-15(17)13-6-2-3-7-14(13)16/h2-7,10,15H,8-9,11,17H2,1H3
InChIKeyDZQVLDCMOFJNEE-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.92
Rot. Bonds6

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

1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 62644997) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID62644997
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1Cl)Cc1cccs1
InChIInChI=1S/C15H19ClN2S/c1-18(11-12-5-4-10-19-12)9-8-15(17)13-6-2-3-7-14(13)16/h2-7,10,15H,8-9,11,17H2,1H3
InChIKeyDZQVLDCMOFJNEE-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
1-(2-chlorophenyl)-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62644685
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62643328
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 62644997) is 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CN(CCC(N)c1ccccc1Cl)Cc1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DZQVLDCMOFJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-18(11-12-5-4-10-19-12)9-8-15(17)13-6-2-3-7-14(13)16/h2-7,10,15H,8-9,11,17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 294.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62644997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).