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

C18H23NO — CID 115493511

IUPAC2-[2-(4-butylphenoxy)phenyl]ethanamine
SMILESCCCCc1ccc(Oc2ccccc2CCN)cc1
InChIInChI=1S/C18H23NO/c1-2-3-6-15-9-11-17(12-10-15)20-18-8-5-4-7-16(18)13-14-19/h4-5,7-12H,2-3,6,13-14,19H2,1H3
InChIKeyYQSYUIVSDBBXNL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.32
Rot. Bonds7

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

2-[2-(4-butylphenoxy)phenyl]ethanamine (PubChem CID 115493511) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-(4-butylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-butylphenoxy)phenyl]ethanamine
PubChem CID115493511
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[2-(4-butylphenoxy)phenyl]ethanamine
SMILESCCCCc1ccc(Oc2ccccc2CCN)cc1
InChIInChI=1S/C18H23NO/c1-2-3-6-15-9-11-17(12-10-15)20-18-8-5-4-7-16(18)13-14-19/h4-5,7-12H,2-3,6,13-14,19H2,1H3
InChIKeyYQSYUIVSDBBXNL-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
CID 115493361
2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115492682
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(4-butylphenoxy)phenyl]ethanamine (CID 115493511) is 2-[2-(4-butylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-butylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(4-butylphenoxy)phenyl]ethanamine is CCCCc1ccc(Oc2ccccc2CCN)cc1.
What is the InChIKey of 2-[2-(4-butylphenoxy)phenyl]ethanamine?
The InChIKey is YQSYUIVSDBBXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-3-6-15-9-11-17(12-10-15)20-18-8-5-4-7-16(18)13-14-19/h4-5,7-12H,2-3,6,13-14,19H2,1H3.
What are the key properties of 2-[2-(4-butylphenoxy)phenyl]ethanamine?
2-[2-(4-butylphenoxy)phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 115493511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).