N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine

C15H24N2O2 — CID 115554117

IUPACN-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine
SMILESCCNC(C)C(c1c(C)cccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H24N2O2/c1-6-16-12(5)14(10(2)3)15-11(4)8-7-9-13(15)17(18)19/h7-10,12,14,16H,6H2,1-5H3
InChIKeyPTRRCFUYKGVERO-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.64
Rot. Bonds6

About N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine

N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine (PubChem CID 115554117) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine
PubChem CID115554117
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine
SMILESCCNC(C)C(c1c(C)cccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H24N2O2/c1-6-16-12(5)14(10(2)3)15-11(4)8-7-9-13(15)17(18)19/h7-10,12,14,16H,6H2,1-5H3
InChIKeyPTRRCFUYKGVERO-UHFFFAOYSA-N
XLogP3.64
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.64
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-methyl-6-nitrophenyl)-N-propylpentan-2-amine
CID 115554142
N-ethyl-4-methyl-3-[(2-methyl-3-nitrophenyl)methyl]pentan-2-amine
CID 62915828
2-(2-methyl-6-nitrophenyl)pentan-3-one
CID 115554102
N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine
CID 115554122
N-ethyl-3-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpentan-2-amine
CID 107350058
3-(3-ethoxy-4-nitrophenyl)-N-ethyl-4-methylpentan-2-amine
CID 63675527
4-(2-chloro-6-nitrophenyl)-N-ethyl-3-methylbutan-2-amine
CID 63747177
N,3-diethyl-5-(2-nitrophenyl)pentan-2-amine
CID 55219961
ethyl 2,3-dihydroxy-3-(2-methyl-6-nitrophenyl)propanoate
CID 171866575
N-[(2R)-2-(ethylamino)propyl]-2-methyl-3-nitrobenzenesulfonamide
CID 120664804
1-(2-methyl-6-nitrophenyl)-N-propylbutan-2-amine
CID 115554126
4-(2-methyl-6-nitrophenyl)hex-5-en-3-one
CID 70083611

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine (CID 115554117) is N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine is CCNC(C)C(c1c(C)cccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine?
The InChIKey is PTRRCFUYKGVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-16-12(5)14(10(2)3)15-11(4)8-7-9-13(15)17(18)19/h7-10,12,14,16H,6H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine?
N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(2-methyl-6-nitrophenyl)pentan-2-amine is sourced from PubChem (CID 115554117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).