N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine

C18H29ClN2 — CID 114851025

IUPACN-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C18H29ClN2/c1-4-18(5-2)9-11-21(12-10-18)17-8-7-16(19)13-15(17)14-20-6-3/h7-8,13,20H,4-6,9-12,14H2,1-3H3
InChIKeyATXMVCDMXIRASH-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.86
Rot. Bonds6

About N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114851025) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114851025
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C18H29ClN2/c1-4-18(5-2)9-11-21(12-10-18)17-8-7-16(19)13-15(17)14-20-6-3/h7-8,13,20H,4-6,9-12,14H2,1-3H3
InChIKeyATXMVCDMXIRASH-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848529
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851009
5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 114844295
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
N-[[5-chloro-2-(4,4-dimethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 114851900
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-1-amine
CID 114847580
1-[5-chloro-2-(4,4-dimethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851889
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 63158482
N-[[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114847273

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 114851025) is N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1N1CCC(CC)(CC)CC1.
What is the InChIKey of N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is ATXMVCDMXIRASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-18(5-2)9-11-21(12-10-18)17-8-7-16(19)13-15(17)14-20-6-3/h7-8,13,20H,4-6,9-12,14H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 308.90 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114851025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).