N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine

C15H15ClN2O2 — CID 62537905

IUPACN-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15ClN2O2/c1-11(13-5-7-15(8-6-13)18(19)20)17-10-12-3-2-4-14(16)9-12/h2-9,11,17H,10H2,1H3
InChIKeyVKPXGYCPYUIRRY-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.10
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine

N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine (PubChem CID 62537905) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
PubChem CID62537905
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15ClN2O2/c1-11(13-5-7-15(8-6-13)18(19)20)17-10-12-3-2-4-14(16)9-12/h2-9,11,17H,10H2,1H3
InChIKeyVKPXGYCPYUIRRY-UHFFFAOYSA-N
XLogP4.10
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
1-(3,4-dichlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 43079998
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
N-[(4-chlorophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43183259
N-[(2-chloro-5-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 43462312
1-(4-chloro-3-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82887406
N-[(3-methylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43204431
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1R)-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 81367242
N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 43297287
2-methoxy-4-[[1-(4-nitrophenyl)ethylamino]methyl]phenol
CID 139637273

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine (CID 62537905) is N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine is CC(NCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine?
The InChIKey is VKPXGYCPYUIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-11(13-5-7-15(8-6-13)18(19)20)17-10-12-3-2-4-14(16)9-12/h2-9,11,17H,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine?
N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine has a molecular weight of 290.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 62537905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).