N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine

C15H25N — CID 123206397

IUPACN-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
SMILESCCCC(C)Cc1cccc(C(C)NC)c1
InChIInChI=1S/C15H25N/c1-5-7-12(2)10-14-8-6-9-15(11-14)13(3)16-4/h6,8-9,11-13,16H,5,7,10H2,1-4H3
InChIKeyFMGSMHVCRHQXCB-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.95
Rot. Bonds6

About N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine

N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine (PubChem CID 123206397) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
PubChem CID123206397
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
SMILESCCCC(C)Cc1cccc(C(C)NC)c1
InChIInChI=1S/C15H25N/c1-5-7-12(2)10-14-8-6-9-15(11-14)13(3)16-4/h6,8-9,11-13,16H,5,7,10H2,1-4H3
InChIKeyFMGSMHVCRHQXCB-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
CID 59900479
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
CID 130742207
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
1-(3-ethylphenyl)-N-methyl-2-propylpentan-1-amine
CID 105018498
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine (CID 123206397) is N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine is CCCC(C)Cc1cccc(C(C)NC)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine?
The InChIKey is FMGSMHVCRHQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-12(2)10-14-8-6-9-15(11-14)13(3)16-4/h6,8-9,11-13,16H,5,7,10H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine?
N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine is sourced from PubChem (CID 123206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).