N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine

C16H25ClN2 — CID 114850627

IUPACN-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCC(C)CC1C
InChIInChI=1S/C16H25ClN2/c1-4-18-11-14-5-6-15(17)10-16(14)19-8-7-12(2)9-13(19)3/h5-6,10,12-13,18H,4,7-9,11H2,1-3H3
InChIKeyFGFNHJQGNLKZBZ-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.07
Rot. Bonds4

About N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114850627) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114850627
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCC(C)CC1C
InChIInChI=1S/C16H25ClN2/c1-4-18-11-14-5-6-15(17)10-16(14)19-8-7-12(2)9-13(19)3/h5-6,10,12-13,18H,4,7-9,11H2,1-3H3
InChIKeyFGFNHJQGNLKZBZ-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]ethanamine
CID 62332170
N-[[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63551604
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
[1-[5-chloro-2-(ethylaminomethyl)phenyl]azepan-2-yl]methanol
CID 114853911
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 114847408
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 114849617
N-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-chlorophenyl]methyl]ethanamine
CID 114850329
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
N-[[4-chloro-2-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114848658
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 114850627) is N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1N1CCC(C)CC1C.
What is the InChIKey of N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is FGFNHJQGNLKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-18-11-14-5-6-15(17)10-16(14)19-8-7-12(2)9-13(19)3/h5-6,10,12-13,18H,4,7-9,11H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 280.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114850627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).