1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine

C19H25NO — CID 115803356

IUPAC1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCCc1ccc(CC(N)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-15-4-6-17(7-5-15)14-18(20)11-8-16-9-12-19(21-2)13-10-16/h4-7,9-10,12-13,18H,3,8,11,14,20H2,1-2H3
InChIKeyICINUNLVZHSXQT-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.76
Rot. Bonds7

About 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine

1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine (PubChem CID 115803356) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
PubChem CID115803356
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
SMILESCCc1ccc(CC(N)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-15-4-6-17(7-5-15)14-18(20)11-8-16-9-12-19(21-2)13-10-16/h4-7,9-10,12-13,18H,3,8,11,14,20H2,1-2H3
InChIKeyICINUNLVZHSXQT-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055
1-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115818682
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516
1-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
1-(4-bromothiophen-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 115847825

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine (CID 115803356) is 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine is CCc1ccc(CC(N)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine?
The InChIKey is ICINUNLVZHSXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-15-4-6-17(7-5-15)14-18(20)11-8-16-9-12-19(21-2)13-10-16/h4-7,9-10,12-13,18H,3,8,11,14,20H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine?
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 115803356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).