N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine

C15H23ClN2 — CID 113362652

IUPACN-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
SMILESCc1cc(CNCCN2CCCCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2/c1-13-11-14(5-6-15(13)16)12-17-7-10-18-8-3-2-4-9-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyITGLJCVFDCGTNU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine

N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 113362652) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
PubChem CID113362652
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
SMILESCc1cc(CNCCN2CCCCC2)ccc1Cl
InChIInChI=1S/C15H23ClN2/c1-13-11-14(5-6-15(13)16)12-17-7-10-18-8-3-2-4-9-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeyITGLJCVFDCGTNU-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 61037688
N-[(3-bromo-4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83235176
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
CID 146327178
N-[(4-chloro-3-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 103991396
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
CID 112688761
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
N'-[(4-chloro-3-methylphenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410258
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine (CID 113362652) is N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine is Cc1cc(CNCCN2CCCCC2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is ITGLJCVFDCGTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13-11-14(5-6-15(13)16)12-17-7-10-18-8-3-2-4-9-18/h5-6,11,17H,2-4,7-10,12H2,1H3.
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine?
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 113362652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).