(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine

C18H23NO — CID 104893811

IUPAC(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(19)17-11-7-12-18(14-17)20-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13,19H2,1H3/t15-/m1/s1
InChIKeyHKFHEOIYXNBGRA-OAHLLOKOSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds7

About (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine

(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine (PubChem CID 104893811) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
PubChem CID104893811
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCCCCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(19)17-11-7-12-18(14-17)20-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13,19H2,1H3/t15-/m1/s1
InChIKeyHKFHEOIYXNBGRA-OAHLLOKOSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1R)-1-(3-pent-4-enoxyphenyl)ethanamine
CID 78967500
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
6-[3-[(1R)-1-aminoethyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106708838
1-[6-methyl-5-[4-(4-phenylbutoxy)phenyl]heptyl]-3-(3-phenylpropoxy)benzene
CID 67798064

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine (CID 104893811) is (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine is C[C@@H](N)c1cccc(OCCCCc2ccccc2)c1.
What is the InChIKey of (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine?
The InChIKey is HKFHEOIYXNBGRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(19)17-11-7-12-18(14-17)20-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13,19H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine?
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 104893811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).