N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C15H23ClN2 — CID 81152195

IUPACN-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-3-17-11-13-7-8-15(14(16)10-13)18-9-5-4-6-12(18)2/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyZDTHFARMRIXWOG-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.83
Rot. Bonds4

About N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 81152195) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID81152195
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-3-17-11-13-7-8-15(14(16)10-13)18-9-5-4-6-12(18)2/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyZDTHFARMRIXWOG-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-(2,3-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81148572
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 81148490
1-[2-chloro-4-(chloromethyl)phenyl]-2-methylazepane
CID 81150934
N-[[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81149735
N-[[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 81149874
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
3-[1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 81148737
N-[[3-chloro-4-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690830
N-[[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chlorophenyl]methyl]ethanamine
CID 81145900
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-chlorophenyl]methyl]propan-1-amine
CID 82753054
1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-3-ol
CID 81148887

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 81152195) is N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(N2CCCCC2C)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is ZDTHFARMRIXWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-17-11-13-7-8-15(14(16)10-13)18-9-5-4-6-12(18)2/h7-8,10,12,17H,3-6,9,11H2,1-2H3.
What are the key properties of N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81152195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).