1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine

C18H23ClN2 — CID 63482523

IUPAC1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-3-21(17-10-5-4-6-11-17)13-12-18(20-2)15-8-7-9-16(19)14-15/h4-11,14,18,20H,3,12-13H2,1-2H3
InChIKeyZQCZOMJSQHJPJQ-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.52
Rot. Bonds7

About 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 63482523) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
PubChem CID63482523
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H23ClN2/c1-3-21(17-10-5-4-6-11-17)13-12-18(20-2)15-8-7-9-16(19)14-15/h4-11,14,18,20H,3,12-13H2,1-2H3
InChIKeyZQCZOMJSQHJPJQ-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
CID 63494994
1-(3-chlorophenyl)-N'-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 63494088
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine (CID 63482523) is 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine is CCN(CCC(NC)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is ZQCZOMJSQHJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-21(17-10-5-4-6-11-17)13-12-18(20-2)15-8-7-9-16(19)14-15/h4-11,14,18,20H,3,12-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 63482523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).