3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine

C15H24N2O2 — CID 115554142

IUPAC3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-5-10-16-12(4)13(6-2)15-11(3)8-7-9-14(15)17(18)19/h7-9,12-13,16H,5-6,10H2,1-4H3
InChIKeyROWZJQHXWJUSAR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.78
Rot. Bonds7

About 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine

3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine (PubChem CID 115554142) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine
PubChem CID115554142
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-5-10-16-12(4)13(6-2)15-11(3)8-7-9-14(15)17(18)19/h7-9,12-13,16H,5-6,10H2,1-4H3
InChIKeyROWZJQHXWJUSAR-UHFFFAOYSA-N
XLogP3.78
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.78
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

3-(2-nitrophenyl)-N-propylpentan-2-amine
CID 63200441
N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine
CID 115554117
1-(2-methyl-6-nitrophenyl)-N-propylbutan-2-amine
CID 115554126
3-(2-nitrophenyl)sulfanyl-N-propylbutan-2-amine
CID 64612361
2-(2-methyl-6-nitrophenyl)pentan-3-one
CID 115554102
2-methyl-N-(2-methylbutyl)-6-nitroaniline
CID 115551443
2-methyl-6-nitro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716089
ethyl 2,3-dihydroxy-3-(2-methyl-6-nitrophenyl)propanoate
CID 171866575
3-(8-nitroquinolin-4-yl)-N-propylbutan-2-amine
CID 83067409
1-(2-methyl-6-nitroanilino)pentan-3-ol
CID 115702028
3-phenyl-N-propylpentan-2-amine
CID 66438754
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine (CID 115554142) is 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine is CCCNC(C)C(CC)c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine?
The InChIKey is ROWZJQHXWJUSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-10-16-12(4)13(6-2)15-11(3)8-7-9-14(15)17(18)19/h7-9,12-13,16H,5-6,10H2,1-4H3.
What are the key properties of 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine?
3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 115554142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).