N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

C16H25ClN2O — CID 114847257

IUPACN-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1N1CCCCC1C
InChIInChI=1S/C16H25ClN2O/c1-13-5-3-4-9-19(13)16-7-6-15(17)11-14(16)12-18-8-10-20-2/h6-7,11,13,18H,3-5,8-10,12H2,1-2H3
InChIKeyNWLANJKXGRSQCT-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.45
Rot. Bonds6

About N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine

N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 114847257) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID114847257
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1N1CCCCC1C
InChIInChI=1S/C16H25ClN2O/c1-13-5-3-4-9-19(13)16-7-6-15(17)11-14(16)12-18-8-10-20-2/h6-7,11,13,18H,3-5,8-10,12H2,1-2H3
InChIKeyNWLANJKXGRSQCT-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine 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

N-[[4-chloro-2-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114848658
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
N-[[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149735
[1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848738
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
N-[[3-ethoxy-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 84754813
N-[[3,5-difluoro-4-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059606
N-[[5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 114849440
[1-[4-chloro-2-(propylaminomethyl)phenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782620
N-[[4-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114851246
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine (CID 114847257) is N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(Cl)ccc1N1CCCCC1C.
What is the InChIKey of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is NWLANJKXGRSQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13-5-3-4-9-19(13)16-7-6-15(17)11-14(16)12-18-8-10-20-2/h6-7,11,13,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114847257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).