[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol

C19H23N3O3 — CID 133473258

IUPAC[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol
SMILESCC1CN(Cc2ccccc2)CC1Nc1cc(CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-14-10-21(11-15-5-3-2-4-6-15)12-18(14)20-17-9-16(13-23)7-8-19(17)22(24)25/h2-9,14,18,20,23H,10-13H2,1H3
InChIKeyRKEOFOFVWDBCOZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds6

About [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol

[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol (PubChem CID 133473258) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol
PubChem CID133473258
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol
SMILESCC1CN(Cc2ccccc2)CC1Nc1cc(CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-14-10-21(11-15-5-3-2-4-6-15)12-18(14)20-17-9-16(13-23)7-8-19(17)22(24)25/h2-9,14,18,20,23H,10-13H2,1H3
InChIKeyRKEOFOFVWDBCOZ-UHFFFAOYSA-N
XLogP3.02
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.02
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

N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 133473307
N-(1-benzyl-4-methylpyrrolidin-3-yl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133473329
1-[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-methylsulfonylphenyl]ethanone
CID 133473314
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-N-methyl-2-nitroaniline
CID 79184018
1-[[2-[[5-(hydroxymethyl)-2-nitroanilino]methyl]phenyl]methyl]piperidin-4-ol
CID 133438068
[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-4-nitrophenyl]methanol
CID 133437592
[3-(cyclopropylmethylamino)-4-nitrophenyl]methanol
CID 122539176
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 129429409
1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4-methylpyrrolidin-3-amine
CID 133473353
1-[4-[5-(hydroxymethyl)-2-nitroanilino]cyclohexyl]pyrrolidine-2,5-dione
CID 133438610
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
CID 133473284

Frequently Asked Questions

What is the IUPAC name of [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol?
The IUPAC name of [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol (CID 133473258) is [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol is CC1CN(Cc2ccccc2)CC1Nc1cc(CO)ccc1[N+](=O)[O-].
What is the InChIKey of [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol?
The InChIKey is RKEOFOFVWDBCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-10-21(11-15-5-3-2-4-6-15)12-18(14)20-17-9-16(13-23)7-8-19(17)22(24)25/h2-9,14,18,20,23H,10-13H2,1H3.
What are the key properties of [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol?
[3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol has a molecular weight of 341.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-4-nitrophenyl]methanol is sourced from PubChem (CID 133473258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).