1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine

C19H25NO — CID 43093642

IUPAC1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCCCCc1ccc(C(N)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-5-15-6-10-17(11-7-15)19(20)14-16-8-12-18(21-2)13-9-16/h6-13,19H,3-5,14,20H2,1-2H3
InChIKeyDJXAXVOQZVDXKC-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.28
Rot. Bonds7

About 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine

1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 43093642) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID43093642
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
SMILESCCCCc1ccc(C(N)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H25NO/c1-3-4-5-15-6-10-17(11-7-15)19(20)14-16-8-12-18(21-2)13-9-16/h6-13,19H,3-5,14,20H2,1-2H3
InChIKeyDJXAXVOQZVDXKC-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-[1-chloro-2-(4-methoxyphenyl)ethyl]benzene
CID 63431732
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61079796
2-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 173155722
2-(furan-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 83175778
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
(1R)-1-(4-pentylphenyl)ethane-1,2-diamine
CID 66517020

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine (CID 43093642) is 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine is CCCCc1ccc(C(N)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is DJXAXVOQZVDXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-5-15-6-10-17(11-7-15)19(20)14-16-8-12-18(21-2)13-9-16/h6-13,19H,3-5,14,20H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine?
1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 43093642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).