1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine

C17H27ClN2 — CID 62628710

IUPAC1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NCC)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C17H27ClN2/c1-3-11-20(16-8-9-16)12-10-17(19-4-2)14-6-5-7-15(18)13-14/h5-7,13,16-17,19H,3-4,8-12H2,1-2H3
InChIKeyNOXAEYISZCMGIY-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds9

About 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine (PubChem CID 62628710) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
PubChem CID62628710
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NCC)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C17H27ClN2/c1-3-11-20(16-8-9-16)12-10-17(19-4-2)14-6-5-7-15(18)13-14/h5-7,13,16-17,19H,3-4,8-12H2,1-2H3
InChIKeyNOXAEYISZCMGIY-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
1-(3-chlorophenyl)-N'-(cyclopropylmethyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62630789
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine (CID 62628710) is 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine is CCCN(CCC(NCC)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine?
The InChIKey is NOXAEYISZCMGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-11-20(16-8-9-16)12-10-17(19-4-2)14-6-5-7-15(18)13-14/h5-7,13,16-17,19H,3-4,8-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 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'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62628710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).