1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine

C17H27ClN2 — CID 62630789

IUPAC1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NC)c1cccc(Cl)c1)CC1CC1
InChIInChI=1S/C17H27ClN2/c1-3-10-20(13-14-7-8-14)11-9-17(19-2)15-5-4-6-16(18)12-15/h4-6,12,14,17,19H,3,7-11,13H2,1-2H3
InChIKeyJNZFOVMCAFKGCH-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds9

About 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62630789) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID62630789
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NC)c1cccc(Cl)c1)CC1CC1
InChIInChI=1S/C17H27ClN2/c1-3-10-20(13-14-7-8-14)11-9-17(19-2)15-5-4-6-16(18)12-15/h4-6,12,14,17,19H,3,7-11,13H2,1-2H3
InChIKeyJNZFOVMCAFKGCH-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.11
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'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
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
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-phenylpropane-1,3-diamine
CID 63482523
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
1-(3-chlorophenyl)-N'-ethyl-N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623245
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine (CID 62630789) is 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine is CCCN(CCC(NC)c1cccc(Cl)c1)CC1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is JNZFOVMCAFKGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-10-20(13-14-7-8-14)11-9-17(19-2)15-5-4-6-16(18)12-15/h4-6,12,14,17,19H,3,7-11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62630789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).