N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine

C14H15N3O2 — CID 7230667

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-3-5-12(8-10)11(2)16-14-7-6-13(9-15-14)17(18)19/h3-9,11H,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyGMQQKQSWIXABJH-NSHDSACASA-N
MW257.29 g/mol
LogP3.47
Rot. Bonds4

About N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine

N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine (PubChem CID 7230667) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
PubChem CID7230667
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-3-5-12(8-10)11(2)16-14-7-6-13(9-15-14)17(18)19/h3-9,11H,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyGMQQKQSWIXABJH-NSHDSACASA-N
XLogP3.47
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.47
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

5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 30640632
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
5-methyl-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine
CID 138041672
N-(2-methyl-1-phenylpropyl)-5-nitropyridin-2-amine
CID 16962694
N-[1-(3,4-dipropoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 45351788
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-nitropyridin-2-amine
CID 71852156
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28544299
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine (CID 7230667) is N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine is Cc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is GMQQKQSWIXABJH-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-3-5-12(8-10)11(2)16-14-7-6-13(9-15-14)17(18)19/h3-9,11H,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 7230667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).