2-(aminomethyl)-3-nitro-N-propan-2-ylaniline

C10H15N3O2 — CID 57415948

IUPAC2-(aminomethyl)-3-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc([N+](=O)[O-])c1CN
InChIInChI=1S/C10H15N3O2/c1-7(2)12-9-4-3-5-10(13(14)15)8(9)6-11/h3-5,7,12H,6,11H2,1-2H3
InChIKeyLBAHZKXGQHWGCE-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.87
Rot. Bonds4

About 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline

2-(aminomethyl)-3-nitro-N-propan-2-ylaniline (PubChem CID 57415948) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-nitro-N-propan-2-ylaniline
PubChem CID57415948
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(aminomethyl)-3-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1cccc([N+](=O)[O-])c1CN
InChIInChI=1S/C10H15N3O2/c1-7(2)12-9-4-3-5-10(13(14)15)8(9)6-11/h3-5,7,12H,6,11H2,1-2H3
InChIKeyLBAHZKXGQHWGCE-UHFFFAOYSA-N
XLogP1.87
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
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

azane;2-nitro-N-propan-2-ylaniline
CID 174872000
2-(aminomethyl)-N-(2-fluoroethyl)-3-nitroaniline
CID 57415949
2-methyl-3-(2-methyl-3-nitroanilino)butan-1-ol
CID 113484873
4-(2-chloro-6-nitrophenyl)-3-methylbutan-2-amine
CID 63745133
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43718167
1-(2-chloro-6-nitrophenyl)-2-methylpropan-2-amine
CID 65015630
N-[[4-(aminomethyl)phenyl]methyl]-2-nitroaniline
CID 81091139
3-(aminomethyl)-4-(2-chloro-6-nitrophenyl)-3-methylbutan-2-ol
CID 65393412
2-methyl-3-nitro-N-(4-phenylbutan-2-yl)aniline
CID 43719674
4-methyl-2-(2-nitroanilino)pentanoic acid
CID 55207442
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline?
The IUPAC name of 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline (CID 57415948) is 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline?
The canonical SMILES for 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline is CC(C)Nc1cccc([N+](=O)[O-])c1CN.
What is the InChIKey of 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline?
The InChIKey is LBAHZKXGQHWGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)12-9-4-3-5-10(13(14)15)8(9)6-11/h3-5,7,12H,6,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline?
2-(aminomethyl)-3-nitro-N-propan-2-ylaniline has a molecular weight of 209.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-nitro-N-propan-2-ylaniline is sourced from PubChem (CID 57415948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).