N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine

C21H27ClN2O — CID 3587375

IUPACN-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
SMILESCCOc1ccc(CN2CCC(Nc3cccc(Cl)c3C)CC2)cc1
InChIInChI=1S/C21H27ClN2O/c1-3-25-19-9-7-17(8-10-19)15-24-13-11-18(12-14-24)23-21-6-4-5-20(22)16(21)2/h4-10,18,23H,3,11-15H2,1-2H3
InChIKeyIWZHIZKFTZVRKW-UHFFFAOYSA-N
MW358.91 g/mol
LogP5.12
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine

N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 3587375) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
PubChem CID3587375
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
SMILESCCOc1ccc(CN2CCC(Nc3cccc(Cl)c3C)CC2)cc1
InChIInChI=1S/C21H27ClN2O/c1-3-25-19-9-7-17(8-10-19)15-24-13-11-18(12-14-24)23-21-6-4-5-20(22)16(21)2/h4-10,18,23H,3,11-15H2,1-2H3
InChIKeyIWZHIZKFTZVRKW-UHFFFAOYSA-N
XLogP5.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.91
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758624
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 3931119
3-chloro-N-cyclohexyl-2-methylaniline
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1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
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CID 67401361
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
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CID 65074283
N'-(3-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)ethane-1,2-diamine
CID 54805427
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CID 108884299
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CID 55470341

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine (CID 3587375) is N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine is CCOc1ccc(CN2CCC(Nc3cccc(Cl)c3C)CC2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is IWZHIZKFTZVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O/c1-3-25-19-9-7-17(8-10-19)15-24-13-11-18(12-14-24)23-21-6-4-5-20(22)16(21)2/h4-10,18,23H,3,11-15H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine?
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 358.91 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 3587375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).