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

C15H24N2O3 — CID 63056082

IUPACN-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-6-11(2)20-14-8-7-13(17(18)19)9-12(14)10-16-15(3,4)5/h7-9,11,16H,6,10H2,1-5H3
InChIKeyBTEODEBAPPNPRL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.66
Rot. Bonds6

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

N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63056082) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
PubChem CID63056082
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
SMILESCCC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-6-11(2)20-14-8-7-13(17(18)19)9-12(14)10-16-15(3,4)5/h7-9,11,16H,6,10H2,1-5H3
InChIKeyBTEODEBAPPNPRL-UHFFFAOYSA-N
XLogP3.66
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(difluoromethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 55148367
N-[(2-butoxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine
CID 63055751
2-methyl-N-[(5-nitro-2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 63055752
N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056250
2-methyl-N-[(5-nitro-2-pent-3-ynoxyphenyl)methyl]propan-2-amine
CID 104805010
N-[[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 106436954
N-[(5-nitro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43472747
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
CID 62548144
N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472642
1-[4-nitro-2-[(propan-2-ylamino)methyl]phenoxy]butan-2-ol
CID 60889202
N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472697

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine (CID 63056082) is N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine is CCC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C.
What is the InChIKey of N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is BTEODEBAPPNPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-11(2)20-14-8-7-13(17(18)19)9-12(14)10-16-15(3,4)5/h7-9,11,16H,6,10H2,1-5H3.
What are the key properties of N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine?
N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-5-nitrophenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).