N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine

C17H29ClN2O — CID 62645417

IUPACN'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
SMILESCCC(C)N(CCOC)CCC(NC)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2O/c1-5-14(2)20(12-13-21-4)11-10-17(19-3)15-6-8-16(18)9-7-15/h6-9,14,17,19H,5,10-13H2,1-4H3
InChIKeyVAJPAAYJYMJAAD-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.74
Rot. Bonds10

About N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine

N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine (PubChem CID 62645417) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
PubChem CID62645417
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC NameN'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
SMILESCCC(C)N(CCOC)CCC(NC)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2O/c1-5-14(2)20(12-13-21-4)11-10-17(19-3)15-6-8-16(18)9-7-15/h6-9,14,17,19H,5,10-13H2,1-4H3
InChIKeyVAJPAAYJYMJAAD-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

N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62645246
N'-butan-2-yl-N'-(2-methoxyethyl)-N-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62624514
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
CID 62613937
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(4-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62645380
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine (CID 62645417) is N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine is CCC(C)N(CCOC)CCC(NC)c1ccc(Cl)cc1.
What is the InChIKey of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
The InChIKey is VAJPAAYJYMJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O/c1-5-14(2)20(12-13-21-4)11-10-17(19-3)15-6-8-16(18)9-7-15/h6-9,14,17,19H,5,10-13H2,1-4H3.
What are the key properties of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine?
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-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 N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 62645417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).