1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine

C14H12Cl3N — CID 55139269

IUPAC1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl3N/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-12(16)13(17)6-9/h1-6,8,14H,7,18H2
InChIKeyPWXFNMOQSUBAFR-UHFFFAOYSA-N
MW300.62 g/mol
LogP4.89
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine

1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 55139269) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID55139269
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl3N/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-12(16)13(17)6-9/h1-6,8,14H,7,18H2
InChIKeyPWXFNMOQSUBAFR-UHFFFAOYSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.62
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
2-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
CID 63044768
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(3-chlorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747791
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine (CID 55139269) is 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is PWXFNMOQSUBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c15-11-3-1-2-10(8-11)14(18)7-9-4-5-12(16)13(17)6-9/h1-6,8,14H,7,18H2.
What are the key properties of 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine has a molecular weight of 300.62 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 55139269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).