(4-nitro-2-propylphenyl)methanamine

C10H14N2O2 — CID 152751762

IUPAC(4-nitro-2-propylphenyl)methanamine
SMILESCCCc1cc([N+](=O)[O-])ccc1CN
InChIInChI=1S/C10H14N2O2/c1-2-3-8-6-10(12(13)14)5-4-9(8)7-11/h4-6H,2-3,7,11H2,1H3
InChIKeyPSDVJLGCUZLGIH-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.01
Rot. Bonds4

About (4-nitro-2-propylphenyl)methanamine

(4-nitro-2-propylphenyl)methanamine (PubChem CID 152751762) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4-nitro-2-propylphenyl)methanamine.

Molecular Properties

Compound Name(4-nitro-2-propylphenyl)methanamine
PubChem CID152751762
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(4-nitro-2-propylphenyl)methanamine
SMILESCCCc1cc([N+](=O)[O-])ccc1CN
InChIInChI=1S/C10H14N2O2/c1-2-3-8-6-10(12(13)14)5-4-9(8)7-11/h4-6H,2-3,7,11H2,1H3
InChIKeyPSDVJLGCUZLGIH-UHFFFAOYSA-N
XLogP2.01
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
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-(4-nitro-2-propylphenyl)ethanamine
CID 152751761
4-nitro-2-propylaniline
CID 21492038
2-(aminomethyl)-4-nitrophenol
CID 2115073
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
(2-bromo-5-nitrophenyl)methanamine
CID 59511923
4-nitro-2-propylbenzoyl bromide
CID 22920954
5-nitro-N-phenyl-2-propylbenzenesulfonamide
CID 71431777
1-(5-nitro-2-propylphenyl)butan-1-one
CID 71011848
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
2-ethyl-4-nitrobenzonitrile
CID 67236310
4-nitro-N-phenyl-2-propylaniline
CID 20559831

Frequently Asked Questions

What is the IUPAC name of (4-nitro-2-propylphenyl)methanamine?
The IUPAC name of (4-nitro-2-propylphenyl)methanamine (CID 152751762) is (4-nitro-2-propylphenyl)methanamine.
What is the SMILES notation for (4-nitro-2-propylphenyl)methanamine?
The canonical SMILES for (4-nitro-2-propylphenyl)methanamine is CCCc1cc([N+](=O)[O-])ccc1CN.
What is the InChIKey of (4-nitro-2-propylphenyl)methanamine?
The InChIKey is PSDVJLGCUZLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-3-8-6-10(12(13)14)5-4-9(8)7-11/h4-6H,2-3,7,11H2,1H3.
What are the key properties of (4-nitro-2-propylphenyl)methanamine?
(4-nitro-2-propylphenyl)methanamine has a molecular weight of 194.23 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-2-propylphenyl)methanamine is sourced from PubChem (CID 152751762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).