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

C15H25ClN2 — CID 62630766

IUPAC1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NCC)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-4-10-18(3)11-9-15(17-5-2)13-7-6-8-14(16)12-13/h6-8,12,15,17H,4-5,9-11H2,1-3H3
InChIKeyQTNBXPQDZQIBBA-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.72
Rot. Bonds8

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

1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62630766) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
PubChem CID62630766
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NCC)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-4-10-18(3)11-9-15(17-5-2)13-7-6-8-14(16)12-13/h6-8,12,15,17H,4-5,9-11H2,1-3H3
InChIKeyQTNBXPQDZQIBBA-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495538
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine (CID 62630766) is 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine is CCCN(C)CCC(NCC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is QTNBXPQDZQIBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-10-18(3)11-9-15(17-5-2)13-7-6-8-14(16)12-13/h6-8,12,15,17H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine?
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.72, 8 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'-propylpropane-1,3-diamine is sourced from PubChem (CID 62630766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).