1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine

C17H29ClN2 — CID 63483276

IUPAC1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-5-11-19-17(10-12-20(6-2)14(3)4)15-8-7-9-16(18)13-15/h7-9,13-14,17,19H,5-6,10-12H2,1-4H3
InChIKeyLNBSKWCSXGXSMK-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.50
Rot. Bonds9

About 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine (PubChem CID 63483276) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
PubChem CID63483276
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H29ClN2/c1-5-11-19-17(10-12-20(6-2)14(3)4)15-8-7-9-16(18)13-15/h7-9,13-14,17,19H,5-6,10-12H2,1-4H3
InChIKeyLNBSKWCSXGXSMK-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-N-propylpropane-1,3-diamine
CID 115987624
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716760
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine (CID 63483276) is 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine?
The InChIKey is LNBSKWCSXGXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-5-11-19-17(10-12-20(6-2)14(3)4)15-8-7-9-16(18)13-15/h7-9,13-14,17,19H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.50, 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'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 63483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).