1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine

C15H16N2O3 — CID 60663527

IUPAC1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-20-14-7-4-5-12(9-14)10-16-11-13-6-2-3-8-15(13)17(18)19/h2-9,16H,10-11H2,1H3
InChIKeyDPYACCCTNADAAP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.89
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine

1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine (PubChem CID 60663527) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
PubChem CID60663527
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine
SMILESCOc1cccc(CNCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-20-14-7-4-5-12(9-14)10-16-11-13-6-2-3-8-15(13)17(18)19/h2-9,16H,10-11H2,1H3
InChIKeyDPYACCCTNADAAP-UHFFFAOYSA-N
XLogP2.89
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(3,5-dimethoxyphenyl)methyl]-1-(2-nitrophenyl)methanamine;oxalic acid
CID 17367692
2-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 87004950
3-methoxy-N-[(2-nitrophenyl)methyl]aniline
CID 28585602
1-(4-methoxy-3-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60777643
N-[[2-(difluoromethoxy)-3-methoxy-4-nitrophenyl]methyl]-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 47079241
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 107348841
1-(6-methoxy-3-pyridinyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 28712735
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
N-[(2,3-dichlorophenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 60663542
N-[(3-methoxyphenyl)methyl]-4-methyl-2-nitroaniline
CID 43718638
N-[(3-methoxyphenyl)methyl]-3-methyl-4-nitroaniline
CID 47264174
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine (CID 60663527) is 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine is COc1cccc(CNCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
The InChIKey is DPYACCCTNADAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-14-7-4-5-12(9-14)10-16-11-13-6-2-3-8-15(13)17(18)19/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(2-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 60663527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).