1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine

C15H23ClN2 — CID 120839784

IUPAC1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCc1cccc(Cl)c1CN1CCC(NC)CC1
InChIInChI=1S/C15H23ClN2/c1-3-12-5-4-6-15(16)14(12)11-18-9-7-13(17-2)8-10-18/h4-6,13,17H,3,7-11H2,1-2H3
InChIKeyHDHFDMWSLADPQJ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.09
Rot. Bonds4

About 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine

1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 120839784) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID120839784
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCc1cccc(Cl)c1CN1CCC(NC)CC1
InChIInChI=1S/C15H23ClN2/c1-3-12-5-4-6-15(16)14(12)11-18-9-7-13(17-2)8-10-18/h4-6,13,17H,3,7-11H2,1-2H3
InChIKeyHDHFDMWSLADPQJ-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838218
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011
1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-amine
CID 120834571
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine (CID 120839784) is 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine is CCc1cccc(Cl)c1CN1CCC(NC)CC1.
What is the InChIKey of 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is HDHFDMWSLADPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-12-5-4-6-15(16)14(12)11-18-9-7-13(17-2)8-10-18/h4-6,13,17H,3,7-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine?
1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 120839784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).