1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one

C14H21NO — CID 62042480

IUPAC1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
SMILESCCCC(=O)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-6-14(16)11-15(3)10-13-8-5-7-12(2)9-13/h5,7-9H,4,6,10-11H2,1-3H3
InChIKeyCDPFBZINCOOMLI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds6

About 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one

1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one (PubChem CID 62042480) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one.

Molecular Properties

Compound Name1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
PubChem CID62042480
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
SMILESCCCC(=O)CN(C)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO/c1-4-6-14(16)11-15(3)10-13-8-5-7-12(2)9-13/h5,7-9H,4,6,10-11H2,1-3H3
InChIKeyCDPFBZINCOOMLI-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
1-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]ethanone
CID 63913034
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 143932693
2-[methyl-[(3-methylphenyl)methyl]amino]-1-thiophen-2-ylethanone
CID 62030952
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
4-hydroxy-5-[methyl-[(3-methylphenyl)methyl]amino]pentanoic acid
CID 115122741

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one?
The IUPAC name of 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one (CID 62042480) is 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one.
What is the SMILES notation for 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one?
The canonical SMILES for 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one is CCCC(=O)CN(C)Cc1cccc(C)c1.
What is the InChIKey of 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one?
The InChIKey is CDPFBZINCOOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-14(16)11-15(3)10-13-8-5-7-12(2)9-13/h5,7-9H,4,6,10-11H2,1-3H3.
What are the key properties of 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one?
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one is sourced from PubChem (CID 62042480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).