1-(2-chloro-4-phenylphenyl)-N-ethylethanamine

C16H18ClN — CID 82782215

IUPAC1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClN/c1-3-18-12(2)15-10-9-14(11-16(15)17)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3
InChIKeyYIZZZVKUZDSEJD-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.68
Rot. Bonds4

About 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine

1-(2-chloro-4-phenylphenyl)-N-ethylethanamine (PubChem CID 82782215) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
PubChem CID82782215
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClN/c1-3-18-12(2)15-10-9-14(11-16(15)17)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3
InChIKeyYIZZZVKUZDSEJD-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
1-[4-(1-benzofuran-2-yl)-2-chlorophenyl]-N-ethylethanamine
CID 114732213
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
1-(1-bromoethyl)-2-chloro-4-phenylbenzene
CID 67619990
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
1-(7-chloro-5-phenyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440354
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile
CID 82782238
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine (CID 82782215) is 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine?
The InChIKey is YIZZZVKUZDSEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-18-12(2)15-10-9-14(11-16(15)17)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine?
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-phenylphenyl)-N-ethylethanamine is sourced from PubChem (CID 82782215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).