1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine

C14H21ClN2O — CID 104816746

IUPAC1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine
SMILESCOc1cccc(Cl)c1CN1CCC(C)C(N)C1
InChIInChI=1S/C14H21ClN2O/c1-10-6-7-17(9-13(10)16)8-11-12(15)4-3-5-14(11)18-2/h3-5,10,13H,6-9,16H2,1-2H3
InChIKeyCJOMGXKAMWSWFJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine

1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine (PubChem CID 104816746) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine
PubChem CID104816746
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine
SMILESCOc1cccc(Cl)c1CN1CCC(C)C(N)C1
InChIInChI=1S/C14H21ClN2O/c1-10-6-7-17(9-13(10)16)8-11-12(15)4-3-5-14(11)18-2/h3-5,10,13H,6-9,16H2,1-2H3
InChIKeyCJOMGXKAMWSWFJ-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
(3S,4R)-1-[(2-chloro-6-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770160
N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 103292689
1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 113456615
3-bromo-1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine
CID 102960502
5-[(2-chloro-6-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115884014
1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909794
3-chloro-2-[(3,4-dimethylpiperidin-1-yl)methyl]phenol
CID 113346151
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
2-[1-[(2-chloro-6-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 104818988
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
CID 131703576

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine (CID 104816746) is 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine is COc1cccc(Cl)c1CN1CCC(C)C(N)C1.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine?
The InChIKey is CJOMGXKAMWSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-6-7-17(9-13(10)16)8-11-12(15)4-3-5-14(11)18-2/h3-5,10,13H,6-9,16H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine?
1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine has a molecular weight of 268.79 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 104816746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).