2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline

C14H21ClN2 — CID 43266179

IUPAC2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
SMILESCCC1CCCCN1Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2/c1-2-12-5-3-4-8-17(12)10-11-6-7-13(15)14(16)9-11/h6-7,9,12H,2-5,8,10,16H2,1H3
InChIKeyWEDTZRNDARMQHZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline

2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline (PubChem CID 43266179) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
PubChem CID43266179
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
SMILESCCC1CCCCN1Cc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2/c1-2-12-5-3-4-8-17(12)10-11-6-7-13(15)14(16)9-11/h6-7,9,12H,2-5,8,10,16H2,1H3
InChIKeyWEDTZRNDARMQHZ-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970475
2-chloro-5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]aniline
CID 43575083
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 83230799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline (CID 43266179) is 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline is CCC1CCCCN1Cc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline?
The InChIKey is WEDTZRNDARMQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-12-5-3-4-8-17(12)10-11-6-7-13(15)14(16)9-11/h6-7,9,12H,2-5,8,10,16H2,1H3.
What are the key properties of 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline?
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 43266179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).