(3-chlorophenyl)methyl 3-(aminomethyl)benzoate

C15H14ClNO2 — CID 65127479

IUPAC(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
SMILESNCc1cccc(C(=O)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c16-14-6-2-4-12(8-14)10-19-15(18)13-5-1-3-11(7-13)9-17/h1-8H,9-10,17H2
InChIKeyNNFNUJFHCWXEKH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.16
Rot. Bonds4

About (3-chlorophenyl)methyl 3-(aminomethyl)benzoate

(3-chlorophenyl)methyl 3-(aminomethyl)benzoate (PubChem CID 65127479) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 3-(aminomethyl)benzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
PubChem CID65127479
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
SMILESNCc1cccc(C(=O)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c16-14-6-2-4-12(8-14)10-19-15(18)13-5-1-3-11(7-13)9-17/h1-8H,9-10,17H2
InChIKeyNNFNUJFHCWXEKH-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
ethyl 3-(aminomethyl)benzoate
CID 15079215
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
4-O-[(3-chlorophenyl)methyl] 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735460
(3-chlorophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699907

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 3-(aminomethyl)benzoate?
The IUPAC name of (3-chlorophenyl)methyl 3-(aminomethyl)benzoate (CID 65127479) is (3-chlorophenyl)methyl 3-(aminomethyl)benzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 3-(aminomethyl)benzoate?
The canonical SMILES for (3-chlorophenyl)methyl 3-(aminomethyl)benzoate is NCc1cccc(C(=O)OCc2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)methyl 3-(aminomethyl)benzoate?
The InChIKey is NNFNUJFHCWXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-14-6-2-4-12(8-14)10-19-15(18)13-5-1-3-11(7-13)9-17/h1-8H,9-10,17H2.
What are the key properties of (3-chlorophenyl)methyl 3-(aminomethyl)benzoate?
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate has a molecular weight of 275.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 3-(aminomethyl)benzoate is sourced from PubChem (CID 65127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).