2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine

C15H24N2O2 — CID 52525630

IUPAC2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
SMILESCC(C)CN(Cc1cccc([N+](=O)[O-])c1)CC(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)9-16(10-13(3)4)11-14-6-5-7-15(8-14)17(18)19/h5-8,12-13H,9-11H2,1-4H3
InChIKeySMCIAUKBHKRXBX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.71
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine

2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine (PubChem CID 52525630) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
PubChem CID52525630
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
SMILESCC(C)CN(Cc1cccc([N+](=O)[O-])c1)CC(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)9-16(10-13(3)4)11-14-6-5-7-15(8-14)17(18)19/h5-8,12-13H,9-11H2,1-4H3
InChIKeySMCIAUKBHKRXBX-UHFFFAOYSA-N
XLogP3.71
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.71
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

2-[2-hydroxyethyl-[(3-nitrophenyl)methyl]amino]ethanol
CID 23180222
N'-ethyl-N'-[(3-nitrophenyl)methyl]ethane-1,2-diamine
CID 66568364
N-[(2-chloro-5-nitrophenyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63479530
2-[(3-nitrophenyl)methyl-propylamino]ethanol
CID 30981311
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
1-(3-nitrophenyl)propan-2-amine;hydrochloride
CID 22461228
N-[2-(3-nitrophenyl)ethyl]-N-propan-2-ylpropan-2-amine
CID 54270928
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
1-nitro-3-(propan-2-ylsulfonylmethyl)benzene
CID 22502078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine (CID 52525630) is 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine is CC(C)CN(Cc1cccc([N+](=O)[O-])c1)CC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
The InChIKey is SMCIAUKBHKRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)9-16(10-13(3)4)11-14-6-5-7-15(8-14)17(18)19/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 52525630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).