[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone

C16H16ClNO — CID 107561297

IUPAC[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2CCN)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-11-6-7-13(10-15(11)17)16(19)14-5-3-2-4-12(14)8-9-18/h2-7,10H,8-9,18H2,1H3
InChIKeyNLZVRZUVDRJBIA-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.38
Rot. Bonds4

About [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone

[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone (PubChem CID 107561297) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
PubChem CID107561297
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2CCN)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-11-6-7-13(10-15(11)17)16(19)14-5-3-2-4-12(14)8-9-18/h2-7,10H,8-9,18H2,1H3
InChIKeyNLZVRZUVDRJBIA-UHFFFAOYSA-N
XLogP3.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
[2-(2-aminoethyl)phenyl]-(1-methylpyrazol-4-yl)methanone
CID 116577364
1-[2-(2-aminoethyl)phenyl]butan-1-one
CID 116577371
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone (CID 107561297) is [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccccc2CCN)cc1Cl.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
The InChIKey is NLZVRZUVDRJBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-6-7-13(10-15(11)17)16(19)14-5-3-2-4-12(14)8-9-18/h2-7,10H,8-9,18H2,1H3.
What are the key properties of [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone?
[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone has a molecular weight of 273.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 107561297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).