1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

C16H27ClN2O — CID 81074249

IUPAC1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCNC(CCN(C)CCOC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2O/c1-13(2)20-11-10-19(4)9-8-16(18-3)14-6-5-7-15(17)12-14/h5-7,12-13,16,18H,8-11H2,1-4H3
InChIKeyLDPSNPYLDKUKJF-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.35
Rot. Bonds9

About 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (PubChem CID 81074249) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
PubChem CID81074249
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCNC(CCN(C)CCOC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H27ClN2O/c1-13(2)20-11-10-19(4)9-8-16(18-3)14-6-5-7-15(17)12-14/h5-7,12-13,16,18H,8-11H2,1-4H3
InChIKeyLDPSNPYLDKUKJF-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074601
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 62630282
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624169
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067875
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112664918
1-(3-chlorophenyl)-N-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62629730
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
1-[[[3-(3-chlorophenyl)-3-(methylamino)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114953529

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (CID 81074249) is 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is CNC(CCN(C)CCOC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The InChIKey is LDPSNPYLDKUKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-13(2)20-11-10-19(4)9-8-16(18-3)14-6-5-7-15(17)12-14/h5-7,12-13,16,18H,8-11H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is sourced from PubChem (CID 81074249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).