N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine

C15H23ClN2O — CID 61169801

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C15H23ClN2O/c1-3-18-8-4-5-14(11-18)17-10-12-9-13(16)6-7-15(12)19-2/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyNUTPRWIKBJXRAS-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.92
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 61169801) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
PubChem CID61169801
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cc(Cl)ccc2OC)C1
InChIInChI=1S/C15H23ClN2O/c1-3-18-8-4-5-14(11-18)17-10-12-9-13(16)6-7-15(12)19-2/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3
InChIKeyNUTPRWIKBJXRAS-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 56814864
N-[(5-chloro-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63922112
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
2-[4-[(5-chloro-2-methoxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 61038393
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581996
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61170965
N-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958335

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine (CID 61169801) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2cc(Cl)ccc2OC)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is NUTPRWIKBJXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-18-8-4-5-14(11-18)17-10-12-9-13(16)6-7-15(12)19-2/h6-7,9,14,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 282.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 61169801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).