N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

C18H30N2 — CID 62617686

IUPACN-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-4-19-18(17-10-8-15(2)9-11-17)12-14-20-13-6-5-7-16(20)3/h8-11,16,18-19H,4-7,12-14H2,1-3H3
InChIKeyTWGDQKBAKVCORS-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 62617686) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID62617686
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCCNC(CCN1CCCCC1C)c1ccc(C)cc1
InChIInChI=1S/C18H30N2/c1-4-19-18(17-10-8-15(2)9-11-17)12-14-20-13-6-5-7-16(20)3/h8-11,16,18-19H,4-7,12-14H2,1-3H3
InChIKeyTWGDQKBAKVCORS-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
N-ethyl-2-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63465659
1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 62617686) is N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is CCNC(CCN1CCCCC1C)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is TWGDQKBAKVCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-18(17-10-8-15(2)9-11-17)12-14-20-13-6-5-7-16(20)3/h8-11,16,18-19H,4-7,12-14H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62617686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).