2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine

C19H25NO — CID 115493361

IUPAC2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
SMILESCCCCc1ccc(OCc2ccccc2CCN)cc1
InChIInChI=1S/C19H25NO/c1-2-3-6-16-9-11-19(12-10-16)21-15-18-8-5-4-7-17(18)13-14-20/h4-5,7-12H,2-3,6,13-15,20H2,1H3
InChIKeyMYRWQQOZXSSBCG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.11
Rot. Bonds8

About 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine

2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine (PubChem CID 115493361) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
PubChem CID115493361
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
SMILESCCCCc1ccc(OCc2ccccc2CCN)cc1
InChIInChI=1S/C19H25NO/c1-2-3-6-16-9-11-19(12-10-16)21-15-18-8-5-4-7-17(18)13-14-20/h4-5,7-12H,2-3,6,13-15,20H2,1H3
InChIKeyMYRWQQOZXSSBCG-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
2-[(4-butylphenoxy)methyl]benzaldehyde
CID 87366786
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine (CID 115493361) is 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine is CCCCc1ccc(OCc2ccccc2CCN)cc1.
What is the InChIKey of 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is MYRWQQOZXSSBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-3-6-16-9-11-19(12-10-16)21-15-18-8-5-4-7-17(18)13-14-20/h4-5,7-12H,2-3,6,13-15,20H2,1H3.
What are the key properties of 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine?
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 115493361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).