1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine

C17H22N2 — CID 80707990

IUPAC1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccccc2C)nc1
InChIInChI=1S/C17H22N2/c1-13-8-9-17(19-11-13)12-18-15(3)10-16-7-5-4-6-14(16)2/h4-9,11,15,18H,10,12H2,1-3H3
InChIKeyRUEBUTVWOIRFQM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.42
Rot. Bonds5

About 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine

1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine (PubChem CID 80707990) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
PubChem CID80707990
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccccc2C)nc1
InChIInChI=1S/C17H22N2/c1-13-8-9-17(19-11-13)12-18-15(3)10-16-7-5-4-6-14(16)2/h4-9,11,15,18H,10,12H2,1-3H3
InChIKeyRUEBUTVWOIRFQM-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-methyl-2-pyridinyl)methylamino]propan-1-ol
CID 103773833
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62741442
5-methyl-N-[(5-methyl-2-pyridinyl)methyl]hexan-2-amine
CID 80708442
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 80709131
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
N-[(5-methyl-2-pyridinyl)methyl]pent-4-yn-2-amine
CID 115699019
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
1-(2-methylphenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 75441441
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
1-(2-fluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708851
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine (CID 80707990) is 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine is Cc1ccc(CNC(C)Cc2ccccc2C)nc1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
The InChIKey is RUEBUTVWOIRFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-8-9-17(19-11-13)12-18-15(3)10-16-7-5-4-6-14(16)2/h4-9,11,15,18H,10,12H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine?
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 80707990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).