4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine

C14H22N2O2 — CID 55146049

IUPAC4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine
SMILESCC(C)C(CCc1ccccc1[N+](=O)[O-])C(C)N
InChIInChI=1S/C14H22N2O2/c1-10(2)13(11(3)15)9-8-12-6-4-5-7-14(12)16(17)18/h4-7,10-11,13H,8-9,15H2,1-3H3
InChIKeyONJHHHJXAWYUIH-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.15
Rot. Bonds6

About 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine

4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine (PubChem CID 55146049) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine
PubChem CID55146049
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine
SMILESCC(C)C(CCc1ccccc1[N+](=O)[O-])C(C)N
InChIInChI=1S/C14H22N2O2/c1-10(2)13(11(3)15)9-8-12-6-4-5-7-14(12)16(17)18/h4-7,10-11,13H,8-9,15H2,1-3H3
InChIKeyONJHHHJXAWYUIH-UHFFFAOYSA-N
XLogP3.15
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.15
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

(2S)-4-(2-nitrophenyl)butan-2-amine
CID 93264337
1-(2-nitrophenyl)pentan-3-amine
CID 43370528
N,4-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 54891644
1-(4-chloro-3-methylpentyl)-2-nitrobenzene
CID 63062823
1,1,1-trifluoro-4-(2-nitrophenyl)butan-2-amine
CID 117047399
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
1-[(2-nitrophenyl)methylsulfanyl]propan-2-amine
CID 66217252
N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
CID 55219961
4-methyl-6-(2-nitrophenyl)hexan-3-ol
CID 55222317
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
N-ethyl-2-methyl-6-(2-nitrophenyl)hexan-3-amine
CID 63063846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine (CID 55146049) is 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine is CC(C)C(CCc1ccccc1[N+](=O)[O-])C(C)N.
What is the InChIKey of 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine?
The InChIKey is ONJHHHJXAWYUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(11(3)15)9-8-12-6-4-5-7-14(12)16(17)18/h4-7,10-11,13H,8-9,15H2,1-3H3.
What are the key properties of 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine?
4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2-nitrophenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 55146049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).