1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine

C16H26N2 — CID 55018369

IUPAC1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)N1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-12-7-6-10-18(11-12)16(14(3)17)15-9-5-4-8-13(15)2/h4-5,8-9,12,14,16H,6-7,10-11,17H2,1-3H3
InChIKeyWVLKBRBIIHEVIV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds3

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

1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine (PubChem CID 55018369) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
PubChem CID55018369
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)N1CCCC(C)C1
InChIInChI=1S/C16H26N2/c1-12-7-6-10-18(11-12)16(14(3)17)15-9-5-4-8-13(15)2/h4-5,8-9,12,14,16H,6-7,10-11,17H2,1-3H3
InChIKeyWVLKBRBIIHEVIV-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018564
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-2-amine
CID 79916945
1-[2-amino-1-(2-methylphenyl)propyl]piperidin-4-ol
CID 55017840
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55019191
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
7-[2-amino-1-(2-methylphenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095530
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine (CID 55018369) is 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine is Cc1ccccc1C(C(C)N)N1CCCC(C)C1.
What is the InChIKey of 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is WVLKBRBIIHEVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-6-10-18(11-12)16(14(3)17)15-9-5-4-8-13(15)2/h4-5,8-9,12,14,16H,6-7,10-11,17H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55018369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).