4-(4-ethyl-3-methoxyphenyl)butan-2-amine

C13H21NO — CID 118279101

IUPAC4-(4-ethyl-3-methoxyphenyl)butan-2-amine
SMILESCCc1ccc(CCC(C)N)cc1OC
InChIInChI=1S/C13H21NO/c1-4-12-8-7-11(6-5-10(2)14)9-13(12)15-3/h7-10H,4-6,14H2,1-3H3
InChIKeyBPKLEZIDPQYYTG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.54
Rot. Bonds5

About 4-(4-ethyl-3-methoxyphenyl)butan-2-amine

4-(4-ethyl-3-methoxyphenyl)butan-2-amine (PubChem CID 118279101) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-ethyl-3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-3-methoxyphenyl)butan-2-amine
PubChem CID118279101
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(4-ethyl-3-methoxyphenyl)butan-2-amine
SMILESCCc1ccc(CCC(C)N)cc1OC
InChIInChI=1S/C13H21NO/c1-4-12-8-7-11(6-5-10(2)14)9-13(12)15-3/h7-10H,4-6,14H2,1-3H3
InChIKeyBPKLEZIDPQYYTG-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
1-[2-methoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
CID 10802941
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methoxyphenyl)butan-2-amine?
The IUPAC name of 4-(4-ethyl-3-methoxyphenyl)butan-2-amine (CID 118279101) is 4-(4-ethyl-3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-(4-ethyl-3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4-(4-ethyl-3-methoxyphenyl)butan-2-amine is CCc1ccc(CCC(C)N)cc1OC.
What is the InChIKey of 4-(4-ethyl-3-methoxyphenyl)butan-2-amine?
The InChIKey is BPKLEZIDPQYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-12-8-7-11(6-5-10(2)14)9-13(12)15-3/h7-10H,4-6,14H2,1-3H3.
What are the key properties of 4-(4-ethyl-3-methoxyphenyl)butan-2-amine?
4-(4-ethyl-3-methoxyphenyl)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 118279101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).