1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine

C15H23ClN2 — CID 63939293

IUPAC1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1Cl)CC1CC1
InChIInChI=1S/C15H23ClN2/c1-2-18(11-12-7-8-12)10-9-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyUHGVEKOLOCCHSK-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine

1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine (PubChem CID 63939293) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
PubChem CID63939293
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1Cl)CC1CC1
InChIInChI=1S/C15H23ClN2/c1-2-18(11-12-7-8-12)10-9-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,2,7-11,17H2,1H3
InChIKeyUHGVEKOLOCCHSK-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
CID 63954907
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62642958
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine (CID 63939293) is 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine is CCN(CCC(N)c1ccccc1Cl)CC1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is UHGVEKOLOCCHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-18(11-12-7-8-12)10-9-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,2,7-11,17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine?
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 266.82 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 63939293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).