N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline

C19H24N2O2 — CID 10710261

IUPACN-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(N(C)c2ccccc2[N+](=O)[O-])cc1C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)16-11-10-15(12-17(16)14(3)4)20(5)18-8-6-7-9-19(18)21(22)23/h6-14H,1-5H3
InChIKeyBKBMRTYWBAJOJU-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.61
Rot. Bonds5

About N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline

N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline (PubChem CID 10710261) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline
PubChem CID10710261
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(N(C)c2ccccc2[N+](=O)[O-])cc1C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)16-11-10-15(12-17(16)14(3)4)20(5)18-8-6-7-9-19(18)21(22)23/h6-14H,1-5H3
InChIKeyBKBMRTYWBAJOJU-UHFFFAOYSA-N
XLogP5.61
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.61
H-Bond Donors ≤ 50
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

4-(N-methyl-2-nitroanilino)benzonitrile
CID 62983487
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475
N-methyl-N-(2-nitrophenyl)methanesulfonamide
CID 13314625
1-(N-ethyl-2-nitroanilino)propan-2-ol
CID 139729863
N-methyl-N-(2-nitrophenyl)piperidin-4-amine
CID 171544363
N,N-dichloro-2-nitroaniline
CID 13272655
1,2-dinitro-3-propan-2-ylbenzene
CID 14670542
3-(N-methylanilino)-4-nitrobenzoic acid
CID 82784151
N,N-bis(methoxymethyl)-2-nitroaniline
CID 142764651
(1S)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 78938454
(1R)-1-[4-(3-fluoro-N-methylanilino)-3-nitrophenyl]ethanol
CID 63371812

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline?
The IUPAC name of N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline (CID 10710261) is N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline?
The canonical SMILES for N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline is CC(C)c1ccc(N(C)c2ccccc2[N+](=O)[O-])cc1C(C)C.
What is the InChIKey of N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline?
The InChIKey is BKBMRTYWBAJOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)16-11-10-15(12-17(16)14(3)4)20(5)18-8-6-7-9-19(18)21(22)23/h6-14H,1-5H3.
What are the key properties of N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline?
N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline has a molecular weight of 312.41 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-nitrophenyl)-3,4-di(propan-2-yl)aniline is sourced from PubChem (CID 10710261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).