N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine

C14H23N — CID 59900479

IUPACN-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(CCC(C)C)c1
InChIInChI=1S/C14H23N/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)15-4/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyAYTMEMAODWZWNF-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.56
Rot. Bonds5

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

N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine (PubChem CID 59900479) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
PubChem CID59900479
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(CCC(C)C)c1
InChIInChI=1S/C14H23N/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)15-4/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyAYTMEMAODWZWNF-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1,3-bis(3-methylbutyl)benzene;ethane
CID 159024866
N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
CID 123206397
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
CID 130742207
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
ethane;1-ethyl-3-(3-methylbutyl)benzene
CID 143683822
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine (CID 59900479) is N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine is CNC(C)c1cccc(CCC(C)C)c1.
What is the InChIKey of N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine?
The InChIKey is AYTMEMAODWZWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)15-4/h5-7,10-12,15H,8-9H2,1-4H3.
What are the key properties of N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine?
N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylbutyl)phenyl]ethanamine is sourced from PubChem (CID 59900479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).