[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol

C11H14N2O3 — CID 122539176

IUPAC[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1NCC1CC1
InChIInChI=1S/C11H14N2O3/c14-7-9-3-4-11(13(15)16)10(5-9)12-6-8-1-2-8/h3-5,8,12,14H,1-2,6-7H2
InChIKeyWWHCHDZJMGOFHB-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.91
Rot. Bonds5

About [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol

[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol (PubChem CID 122539176) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
PubChem CID122539176
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1NCC1CC1
InChIInChI=1S/C11H14N2O3/c14-7-9-3-4-11(13(15)16)10(5-9)12-6-8-1-2-8/h3-5,8,12,14H,1-2,6-7H2
InChIKeyWWHCHDZJMGOFHB-UHFFFAOYSA-N
XLogP1.91
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.91
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

[4-nitro-3-(oxan-4-ylmethylamino)phenyl]methanol
CID 134248317
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776
3-[[5-(hydroxymethyl)-2-nitroanilino]methyl]cyclohexan-1-ol
CID 133437965
5-bromo-N-(cyclopropylmethyl)-2-nitroaniline
CID 65341443
tert-butyl (3R)-3-[[5-(hydroxymethyl)-2-nitroanilino]methyl]piperidine-1-carboxylate
CID 134248212
[4-nitro-3-[(2-propan-2-yloxan-3-yl)methylamino]phenyl]methanol
CID 133438137
4-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 106130359
[3-[(2-tert-butyloxan-3-yl)methylamino]-4-nitrophenyl]methanol
CID 133437876
[3-[(4-cyclopropylmorpholin-2-yl)methylamino]-4-nitrophenyl]methanol
CID 133437647
[3-[(1-methylcyclobutyl)methylamino]-4-nitrophenyl]methanol
CID 133438235
[3-[(2-cyclobutyloxy-4-pyridinyl)methylamino]-4-nitrophenyl]methanol
CID 133438636
5-chloro-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386853

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol?
The IUPAC name of [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol (CID 122539176) is [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol.
What is the SMILES notation for [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol?
The canonical SMILES for [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1NCC1CC1.
What is the InChIKey of [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol?
The InChIKey is WWHCHDZJMGOFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-7-9-3-4-11(13(15)16)10(5-9)12-6-8-1-2-8/h3-5,8,12,14H,1-2,6-7H2.
What are the key properties of [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol?
[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol has a molecular weight of 222.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethylamino)-4-nitrophenyl]methanol is sourced from PubChem (CID 122539176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).