N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine

C14H16N4O2 — CID 62950842

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN
InChIInChI=1S/C14H16N4O2/c1-10-6-13(18(19)20)9-17-14(10)16-8-12-5-3-2-4-11(12)7-15/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeySFIOXFZASLGDPB-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine (PubChem CID 62950842) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
PubChem CID62950842
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN
InChIInChI=1S/C14H16N4O2/c1-10-6-13(18(19)20)9-17-14(10)16-8-12-5-3-2-4-11(12)7-15/h2-6,9H,7-8,15H2,1H3,(H,16,17)
InChIKeySFIOXFZASLGDPB-UHFFFAOYSA-N
XLogP2.37
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-(aminomethyl)phenyl]methyl]-3-bromo-5-nitropyridin-2-amine
CID 79535255
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
N-(furan-3-ylmethyl)-3-methyl-5-nitropyridin-2-amine
CID 113234160
N-[[4-(difluoromethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 133474672
3-methyl-5-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133380091
2,2-difluoro-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 114384478
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-nitropyridin-2-amine
CID 55081127
N-[[2-(aminomethyl)phenyl]methyl]-4-methyl-3-nitroaniline
CID 62950655

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine (CID 62950842) is N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine?
The InChIKey is SFIOXFZASLGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-6-13(18(19)20)9-17-14(10)16-8-12-5-3-2-4-11(12)7-15/h2-6,9H,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 62950842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).