2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine

C16H26N2 — CID 63786885

IUPAC2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
SMILESCCC1CCN(c2ccc(CCN)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-3-14-7-10-18(11-8-14)16-5-4-15(6-9-17)12-13(16)2/h4-5,12,14H,3,6-11,17H2,1-2H3
InChIKeyDBCBFKVNCDLBGV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine

2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine (PubChem CID 63786885) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
PubChem CID63786885
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
SMILESCCC1CCN(c2ccc(CCN)cc2C)CC1
InChIInChI=1S/C16H26N2/c1-3-14-7-10-18(11-8-14)16-5-4-15(6-9-17)12-13(16)2/h4-5,12,14H,3,6-11,17H2,1-2H3
InChIKeyDBCBFKVNCDLBGV-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine
CID 63785404
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
2-[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]ethanol
CID 82290403
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
1-[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793608
1-[2-chloro-4-(chloromethyl)phenyl]-4-ethylpiperidine
CID 81151438
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532762
[3-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methanol
CID 103498515
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
CID 63972516
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine (CID 63786885) is 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine is CCC1CCN(c2ccc(CCN)cc2C)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine?
The InChIKey is DBCBFKVNCDLBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-14-7-10-18(11-8-14)16-5-4-15(6-9-17)12-13(16)2/h4-5,12,14H,3,6-11,17H2,1-2H3.
What are the key properties of 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine?
2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine is sourced from PubChem (CID 63786885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).