1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine

C17H22Cl2N2 — CID 70213286

IUPAC1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
SMILESCC(N)c1ccc(Cl)c(Cl)c1.Cc1cccc(C(C)N)c1
InChIInChI=1S/C9H13N.C8H9Cl2N/c1-7-4-3-5-9(6-7)8(2)10;1-5(11)6-2-3-7(9)8(10)4-6/h3-6,8H,10H2,1-2H3;2-5H,11H2,1H3
InChIKeyNJIZURPZNDNMFL-UHFFFAOYSA-N
MW325.28 g/mol
LogP5.03
Rot. Bonds2

About 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine

1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine (PubChem CID 70213286) has the molecular formula C17H22Cl2N2 and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
PubChem CID70213286
Molecular FormulaC17H22Cl2N2
Molecular Weight325.28 g/mol
Exact Mass324.12
IUPAC Name1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
SMILESCC(N)c1ccc(Cl)c(Cl)c1.Cc1cccc(C(C)N)c1
InChIInChI=1S/C9H13N.C8H9Cl2N/c1-7-4-3-5-9(6-7)8(2)10;1-5(11)6-2-3-7(9)8(10)4-6/h3-6,8H,10H2,1-2H3;2-5H,11H2,1H3
InChIKeyNJIZURPZNDNMFL-UHFFFAOYSA-N
XLogP5.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.28
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
1-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
N-[(1R)-1-(3-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81369437
(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360674
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
(1S)-1-[3-chloro-4-(2,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 78944451
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine (CID 70213286) is 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine is CC(N)c1ccc(Cl)c(Cl)c1.Cc1cccc(C(C)N)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine?
The InChIKey is NJIZURPZNDNMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H9Cl2N/c1-7-4-3-5-9(6-7)8(2)10;1-5(11)6-2-3-7(9)8(10)4-6/h3-6,8H,10H2,1-2H3;2-5H,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine?
1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine has a molecular weight of 325.28 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 70213286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).