1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol

C15H18N2O4 — CID 117068804

IUPAC1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol
SMILESCC(C)(NCc1cccc([N+](=O)[O-])c1)C(O)c1ccco1
InChIInChI=1S/C15H18N2O4/c1-15(2,14(18)13-7-4-8-21-13)16-10-11-5-3-6-12(9-11)17(19)20/h3-9,14,16,18H,10H2,1-2H3
InChIKeyYVVISSIDALDEQZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.79
Rot. Bonds6

About 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol

1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol (PubChem CID 117068804) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol
PubChem CID117068804
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol
SMILESCC(C)(NCc1cccc([N+](=O)[O-])c1)C(O)c1ccco1
InChIInChI=1S/C15H18N2O4/c1-15(2,14(18)13-7-4-8-21-13)16-10-11-5-3-6-12(9-11)17(19)20/h3-9,14,16,18H,10H2,1-2H3
InChIKeyYVVISSIDALDEQZ-UHFFFAOYSA-N
XLogP2.79
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616
3-methyl-3-[(3-nitrophenyl)methylamino]butanamide
CID 113429153
N-(furan-2-ylmethyl)-1-(3-nitrophenyl)methanamine;hydrochloride
CID 17331715
1-(furan-2-yl)-2-methyl-2-nitropropan-1-ol
CID 12946482
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-[1-(furan-2-yl)ethylideneamino]-3-nitroaniline
CID 3873452
(2S)-3,3-dimethyl-2-[(3-nitrophenyl)methylamino]butanamide
CID 71983342
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
3,3-dimethyl-2-[(3-nitrophenyl)methylcarbamoyl]butanoic acid
CID 116537087
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157
1-(2,2-dimethylpropyl)-3-nitrobenzene
CID 13119626

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol?
The IUPAC name of 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol (CID 117068804) is 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol?
The canonical SMILES for 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol is CC(C)(NCc1cccc([N+](=O)[O-])c1)C(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol?
The InChIKey is YVVISSIDALDEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,14(18)13-7-4-8-21-13)16-10-11-5-3-6-12(9-11)17(19)20/h3-9,14,16,18H,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol?
1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol has a molecular weight of 290.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 117068804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).