2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine

C18H23ClN2 — CID 62979844

IUPAC2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
SMILESCC(c1cccc(Cl)c1)N(C)C(CN)Cc1ccccc1
InChIInChI=1S/C18H23ClN2/c1-14(16-9-6-10-17(19)12-16)21(2)18(13-20)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,20H2,1-2H3
InChIKeyYCENVNIFDMJSCA-UHFFFAOYSA-N
MW302.85 g/mol
LogP3.90
Rot. Bonds6

About 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine

2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 62979844) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID62979844
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
SMILESCC(c1cccc(Cl)c1)N(C)C(CN)Cc1ccccc1
InChIInChI=1S/C18H23ClN2/c1-14(16-9-6-10-17(19)12-16)21(2)18(13-20)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,20H2,1-2H3
InChIKeyYCENVNIFDMJSCA-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
1-(4-bromo-5-methylthiophen-2-yl)-N-[1-(3-chlorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 102839141
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
3-(3-chlorophenyl)-2-N,2-N,5-N,5-N-tetramethyl-2-(3-methylphenyl)-1,6-diphenylhexane-2,5-diamine
CID 173298067
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine (CID 62979844) is 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine is CC(c1cccc(Cl)c1)N(C)C(CN)Cc1ccccc1.
What is the InChIKey of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is YCENVNIFDMJSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14(16-9-6-10-17(19)12-16)21(2)18(13-20)11-15-7-4-3-5-8-15/h3-10,12,14,18H,11,13,20H2,1-2H3.
What are the key properties of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine?
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 62979844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).