[3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol

C14H21N3O3 — CID 102789314

IUPAC[3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(CN2CCC(C)C2CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10-5-6-16(14(10)9-18)8-11-3-4-13(17(19)20)12(7-11)15-2/h3-4,7,10,14-15,18H,5-6,8-9H2,1-2H3
InChIKeyILNYHSANNLXKFC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds5

About [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 102789314) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID102789314
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(CN2CCC(C)C2CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-10-5-6-16(14(10)9-18)8-11-3-4-13(17(19)20)12(7-11)15-2/h3-4,7,10,14-15,18H,5-6,8-9H2,1-2H3
InChIKeyILNYHSANNLXKFC-UHFFFAOYSA-N
XLogP1.84
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
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'}

Analyze [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[3-(methylamino)-4-nitrophenyl]methyl]morpholin-2-yl]methanol
CID 81213023
[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]methanol
CID 62208427
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
2-[1-[[4-(methylamino)-3-nitrophenyl]methyl]piperidin-2-yl]ethanol
CID 62184446
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-N-methyl-2-nitroaniline
CID 79184018
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(methylamino)-4-nitrophenyl]methanone
CID 115967011
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
2-[cyclobutyl-[[3-(methylamino)-4-nitrophenyl]methyl]amino]ethanol
CID 102870535
1-ethyl-3-[[3-(methylamino)-4-nitrophenyl]methyl]imidazol-2-one
CID 80583184
N-methyl-4-[(3-methylmorpholin-4-yl)methyl]-2-nitroaniline
CID 62182937

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol (CID 102789314) is [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol is CNc1cc(CN2CCC(C)C2CO)ccc1[N+](=O)[O-].
What is the InChIKey of [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ILNYHSANNLXKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-5-6-16(14(10)9-18)8-11-3-4-13(17(19)20)12(7-11)15-2/h3-4,7,10,14-15,18H,5-6,8-9H2,1-2H3.
What are the key properties of [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 279.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[3-(methylamino)-4-nitrophenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).