N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

C19H32N2 — CID 103495133

IUPACN-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C19H32N2/c1-14(2)17-10-12-21(13-11-17)16(4)19(20-5)18-8-6-15(3)7-9-18/h6-9,14,16-17,19-20H,10-13H2,1-5H3
InChIKeyBJMKPGCRKLSGLG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.01
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine

N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (PubChem CID 103495133) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
PubChem CID103495133
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C19H32N2/c1-14(2)17-10-12-21(13-11-17)16(4)19(20-5)18-8-6-15(3)7-9-18/h6-9,14,16-17,19-20H,10-13H2,1-5H3
InChIKeyBJMKPGCRKLSGLG-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66393061
1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
CID 63624077
1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960972
N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
CID 62205059
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102965616
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine (CID 103495133) is N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is CNC(c1ccc(C)cc1)C(C)N1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
The InChIKey is BJMKPGCRKLSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)17-10-12-21(13-11-17)16(4)19(20-5)18-8-6-15(3)7-9-18/h6-9,14,16-17,19-20H,10-13H2,1-5H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine?
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 103495133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).