2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine

C14H21ClN2 — CID 82298380

IUPAC2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
SMILESCc1cc(Cl)ccc1N1CCC(CCN)CC1
InChIInChI=1S/C14H21ClN2/c1-11-10-13(15)2-3-14(11)17-8-5-12(4-7-16)6-9-17/h2-3,10,12H,4-9,16H2,1H3
InChIKeyKJLMHAJGZQLSCR-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.21
Rot. Bonds3

About 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine

2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine (PubChem CID 82298380) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
PubChem CID82298380
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
SMILESCc1cc(Cl)ccc1N1CCC(CCN)CC1
InChIInChI=1S/C14H21ClN2/c1-11-10-13(15)2-3-14(11)17-8-5-12(4-7-16)6-9-17/h2-3,10,12H,4-9,16H2,1H3
InChIKeyKJLMHAJGZQLSCR-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028465
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511752
2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
CID 63786885
1-(4-chloro-2-methylphenyl)-4-methyl-1,5-diazocane
CID 117014587
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
2-[1-(4-chloro-2-nitrophenyl)pyrrolidin-3-yl]ethanamine
CID 66667300
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
[1-(4-chloro-2-methylphenyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017658

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine (CID 82298380) is 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine is Cc1cc(Cl)ccc1N1CCC(CCN)CC1.
What is the InChIKey of 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine?
The InChIKey is KJLMHAJGZQLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-10-13(15)2-3-14(11)17-8-5-12(4-7-16)6-9-17/h2-3,10,12H,4-9,16H2,1H3.
What are the key properties of 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine?
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 82298380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).