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

C15H24N2 — CID 62135363

IUPAC[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
SMILESCCC1CCCN(c2ccc(CN)c(C)c2)C1
InChIInChI=1S/C15H24N2/c1-3-13-5-4-8-17(11-13)15-7-6-14(10-16)12(2)9-15/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyNJUGQOZQELNHOO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.08
Rot. Bonds3

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

[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine (PubChem CID 62135363) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
PubChem CID62135363
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
SMILESCCC1CCCN(c2ccc(CN)c(C)c2)C1
InChIInChI=1S/C15H24N2/c1-3-13-5-4-8-17(11-13)15-7-6-14(10-16)12(2)9-15/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3
InChIKeyNJUGQOZQELNHOO-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethylpiperidin-1-yl)-2-methylbenzoic acid
CID 62135276
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanamine
CID 62135177
2-amino-4-(3-ethylpiperidin-1-yl)benzoic acid
CID 104500277
[4-[(3-ethylpiperidin-1-yl)methyl]-3-methylphenyl]methanamine
CID 114478616
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
[4-(4-ethylazepan-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919435
2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylaniline
CID 106585865
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine?
The IUPAC name of [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine (CID 62135363) is [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine is CCC1CCCN(c2ccc(CN)c(C)c2)C1.
What is the InChIKey of [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine?
The InChIKey is NJUGQOZQELNHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-5-4-8-17(11-13)15-7-6-14(10-16)12(2)9-15/h6-7,9,13H,3-5,8,10-11,16H2,1-2H3.
What are the key properties of [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine?
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine has a molecular weight of 232.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine is sourced from PubChem (CID 62135363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).