1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine

C12H19ClN2O — CID 81102122

IUPAC1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O/c1-15(8-12(14)9-16-2)7-10-3-5-11(13)6-4-10/h3-6,12H,7-9,14H2,1-2H3
InChIKeyQEAKUAVGXPONOT-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.75
Rot. Bonds6

About 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine

1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine (PubChem CID 81102122) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
PubChem CID81102122
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H19ClN2O/c1-15(8-12(14)9-16-2)7-10-3-5-11(13)6-4-10/h3-6,12H,7-9,14H2,1-2H3
InChIKeyQEAKUAVGXPONOT-UHFFFAOYSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 81101740
(2S)-1-N-[(4-chlorophenyl)methyl]-3-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 112736503
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
4-methoxy-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 62475963
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
N'-[(4-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
CID 65232695
3-[(4-chlorophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 60648042
3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 82870860
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine (CID 81102122) is 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine is COCC(N)CN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
The InChIKey is QEAKUAVGXPONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-15(8-12(14)9-16-2)7-10-3-5-11(13)6-4-10/h3-6,12H,7-9,14H2,1-2H3.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine?
1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 81102122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).