N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine

C15H24N2O3 — CID 63055751

IUPACN-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-5-6-9-20-14-8-7-13(17(18)19)10-12(14)11-16-15(2,3)4/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyKBYHUIIMXOVBLT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.66
Rot. Bonds7

About N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine

N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63055751) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
PubChem CID63055751
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-5-6-9-20-14-8-7-13(17(18)19)10-12(14)11-16-15(2,3)4/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyKBYHUIIMXOVBLT-UHFFFAOYSA-N
XLogP3.66
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056250
N-[(2-butoxy-5-nitrophenyl)methyl]ethanamine
CID 43472693
2-methyl-N-[(5-nitro-2-pent-3-ynoxyphenyl)methyl]propan-2-amine
CID 104805010
N-[(5-nitro-2-pentoxyphenyl)methyl]ethanamine
CID 43472691
N-[(2-butoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 43472781
2-methyl-N-[(5-nitro-2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 63055752
N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63056082
N-[[2-(difluoromethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 55148367
N-[[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 106436954
N-methyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-nitrophenyl]methanamine
CID 115942201
2-(bromomethyl)-4-nitro-1-nonoxybenzene
CID 3536348
1-heptoxy-2-(methoxymethyl)-4-nitrobenzene
CID 125465341

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine (CID 63055751) is N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine is CCCCOc1ccc([N+](=O)[O-])cc1CNC(C)(C)C.
What is the InChIKey of N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is KBYHUIIMXOVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-6-9-20-14-8-7-13(17(18)19)10-12(14)11-16-15(2,3)4/h7-8,10,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63055751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).