N-ethyl-2-(3-methylphenoxy)butan-1-amine

C13H21NO — CID 54798641

IUPACN-ethyl-2-(3-methylphenoxy)butan-1-amine
SMILESCCNCC(CC)Oc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-4-12(10-14-5-2)15-13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyGIYWFNCEBIUESU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-2-(3-methylphenoxy)butan-1-amine

N-ethyl-2-(3-methylphenoxy)butan-1-amine (PubChem CID 54798641) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenoxy)butan-1-amine
PubChem CID54798641
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-2-(3-methylphenoxy)butan-1-amine
SMILESCCNCC(CC)Oc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-4-12(10-14-5-2)15-13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyGIYWFNCEBIUESU-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
2-chloro-N-[2-(3-methylphenoxy)butyl]aniline
CID 54796120
3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
CID 120502281
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
N-[2-(3-methylphenoxy)butyl]pyrazin-2-amine
CID 133335691
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
1,3-di(pentan-3-yloxy)benzene
CID 91386050
N-[2-(3-methylphenoxy)butyl]-4-phenylmethoxyaniline
CID 54799482
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-(3-methylphenoxy)butan-1-amine (CID 54798641) is N-ethyl-2-(3-methylphenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methylphenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methylphenoxy)butan-1-amine is CCNCC(CC)Oc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(3-methylphenoxy)butan-1-amine?
The InChIKey is GIYWFNCEBIUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12(10-14-5-2)15-13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methylphenoxy)butan-1-amine?
N-ethyl-2-(3-methylphenoxy)butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenoxy)butan-1-amine is sourced from PubChem (CID 54798641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).