1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

C17H29ClN2O — CID 62643465

IUPAC1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(CC)C(C)COC)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2O/c1-5-19-17(15-7-9-16(18)10-8-15)11-12-20(6-2)14(3)13-21-4/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyKLEKLWKIGBWKKR-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.74
Rot. Bonds10

About 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine

1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (PubChem CID 62643465) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
PubChem CID62643465
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(CC)C(C)COC)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2O/c1-5-19-17(15-7-9-16(18)10-8-15)11-12-20(6-2)14(3)13-21-4/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKeyKLEKLWKIGBWKKR-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618250
N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62553684
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butan-1-ol
CID 64828303

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine (CID 62643465) is 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is CCNC(CCN(CC)C(C)COC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
The InChIKey is KLEKLWKIGBWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O/c1-5-19-17(15-7-9-16(18)10-8-15)11-12-20(6-2)14(3)13-21-4/h7-10,14,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine?
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine has a molecular weight of 312.89 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62643465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).