1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine

C15H16ClN — CID 115045731

IUPAC1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine
SMILESCc1cccc(-c2ccc(Cl)c(C(C)N)c2)c1
InChIInChI=1S/C15H16ClN/c1-10-4-3-5-12(8-10)13-6-7-15(16)14(9-13)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyBPGDWHMPHKFMNL-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.34
Rot. Bonds2

About 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine

1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine (PubChem CID 115045731) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine
PubChem CID115045731
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine
SMILESCc1cccc(-c2ccc(Cl)c(C(C)N)c2)c1
InChIInChI=1S/C15H16ClN/c1-10-4-3-5-12(8-10)13-6-7-15(16)14(9-13)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyBPGDWHMPHKFMNL-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-aminoethyl)-4-(3-methylphenyl)phenol
CID 115036226
1-[2-(3-methylphenyl)phenyl]ethanamine
CID 61033604
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
CID 70213286
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine (CID 115045731) is 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine is Cc1cccc(-c2ccc(Cl)c(C(C)N)c2)c1.
What is the InChIKey of 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine?
The InChIKey is BPGDWHMPHKFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-10-4-3-5-12(8-10)13-6-7-15(16)14(9-13)11(2)17/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine?
1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine has a molecular weight of 245.75 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(3-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 115045731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).