4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol

C15H24N2O3 — CID 61245821

IUPAC4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol
SMILESCc1ccc(C(C)NC(CO)CC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O3/c1-10(2)7-14(9-18)16-12(4)13-6-5-11(3)15(8-13)17(19)20/h5-6,8,10,12,14,16,18H,7,9H2,1-4H3
InChIKeyFVMUVMXUHDTTNC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.96
Rot. Bonds7

About 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol

4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol (PubChem CID 61245821) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol
PubChem CID61245821
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol
SMILESCc1ccc(C(C)NC(CO)CC(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O3/c1-10(2)7-14(9-18)16-12(4)13-6-5-11(3)15(8-13)17(19)20/h5-6,8,10,12,14,16,18H,7,9H2,1-4H3
InChIKeyFVMUVMXUHDTTNC-UHFFFAOYSA-N
XLogP2.96
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.96
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

(2R)-2-[1-(4-methyl-3-nitrophenyl)ethylamino]butan-1-ol
CID 103922644
N-[1-(4-methyl-3-nitrophenyl)ethyl]butan-2-amine
CID 43200679
1-methoxy-N-[1-(4-methyl-3-nitrophenyl)ethyl]propan-2-amine
CID 43200931
3-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]butanamide
CID 106344594
2,2-dimethyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propan-1-ol
CID 115359124
2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentanoic acid
CID 65055608
1-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]ethanamine
CID 43533210
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetonitrile
CID 84598222
2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetamide
CID 43200358
N-methoxy-1-(4-methyl-3-nitrophenyl)ethanamine
CID 82706496
1-(4-methyl-3-nitrophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473036
methyl 2-[1-(4-methyl-3-nitrophenyl)ethylamino]acetate
CID 43200789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol (CID 61245821) is 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol is Cc1ccc(C(C)NC(CO)CC(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol?
The InChIKey is FVMUVMXUHDTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)7-14(9-18)16-12(4)13-6-5-11(3)15(8-13)17(19)20/h5-6,8,10,12,14,16,18H,7,9H2,1-4H3.
What are the key properties of 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol?
4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol has a molecular weight of 280.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 61245821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).