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

C16H27ClN2O — CID 62645246

IUPACN'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCC(C)N(CCOC)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O/c1-4-13(2)19(11-12-20-3)10-9-16(18)14-5-7-15(17)8-6-14/h5-8,13,16H,4,9-12,18H2,1-3H3
InChIKeyWSOFABMZHQJDDA-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.48
Rot. Bonds9

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

N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 62645246) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID62645246
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCC(C)N(CCOC)CCC(N)c1ccc(Cl)cc1
InChIInChI=1S/C16H27ClN2O/c1-4-13(2)19(11-12-20-3)10-9-16(18)14-5-7-15(17)8-6-14/h5-8,13,16H,4,9-12,18H2,1-3H3
InChIKeyWSOFABMZHQJDDA-UHFFFAOYSA-N
XLogP3.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
1-(4-chlorophenyl)-3-methoxypropan-1-amine;hydrochloride
CID 71756127
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
1-(4-chlorophenyl)-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493353
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
3-[butan-2-yl(butyl)amino]-1-(4-chlorophenyl)propan-1-ol
CID 63489960
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 62645246) is N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine is CCC(C)N(CCOC)CCC(N)c1ccc(Cl)cc1.
What is the InChIKey of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is WSOFABMZHQJDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-4-13(2)19(11-12-20-3)10-9-16(18)14-5-7-15(17)8-6-14/h5-8,13,16H,4,9-12,18H2,1-3H3.
What are the key properties of N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.48, 9 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)propane-1,3-diamine is sourced from PubChem (CID 62645246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).