N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C16H26N2 — CID 114054867

IUPACN-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)ccc1N1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-4-17-11-15-10-13(2)7-8-16(15)18-9-5-6-14(3)12-18/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyKKVUYSNLHDCCKD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.34
Rot. Bonds4

About N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114054867) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114054867
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)ccc1N1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-4-17-11-15-10-13(2)7-8-16(15)18-9-5-6-14(3)12-18/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyKKVUYSNLHDCCKD-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(ethylaminomethyl)-4-methylphenyl]pyrrolidin-3-ol
CID 114055065
[1-[4-methyl-2-(methylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 114054998
N-[[4-chloro-2-(3-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 114847307
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
1-[2-(2,5-dimethylpiperidin-1-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055090
N-[[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114851073
2-(3-methylpiperidin-1-yl)-5-(propanoylamino)benzoic acid
CID 50807477
1-[2-(2,6-dimethylthiomorpholin-4-yl)-5-methylphenyl]-N-methylmethanamine
CID 114055079
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95063995
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 79916053

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 114054867) is N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1cc(C)ccc1N1CCCC(C)C1.
What is the InChIKey of N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is KKVUYSNLHDCCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-17-11-15-10-13(2)7-8-16(15)18-9-5-6-14(3)12-18/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114054867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).