3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine

C24H26FNO — CID 3915903

IUPAC3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine
SMILESCOc1ccc(C(CCNC(C)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H26FNO/c1-18(19-6-4-3-5-7-19)26-17-16-24(20-8-12-22(25)13-9-20)21-10-14-23(27-2)15-11-21/h3-15,18,24,26H,16-17H2,1-2H3
InChIKeyLTARLXNMDBFWOI-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.71
Rot. Bonds8

About 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine

3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine (PubChem CID 3915903) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine
PubChem CID3915903
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine
SMILESCOc1ccc(C(CCNC(C)c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H26FNO/c1-18(19-6-4-3-5-7-19)26-17-16-24(20-8-12-22(25)13-9-20)21-10-14-23(27-2)15-11-21/h3-15,18,24,26H,16-17H2,1-2H3
InChIKeyLTARLXNMDBFWOI-UHFFFAOYSA-N
XLogP5.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 188927
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CID 781301
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CID 13904719
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CID 44414722
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CID 46890395
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CID 46890492
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CID 46890532
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CID 105083
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CID 9945487

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine (CID 3915903) is 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine is COc1ccc(C(CCNC(C)c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine?
The InChIKey is LTARLXNMDBFWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO/c1-18(19-6-4-3-5-7-19)26-17-16-24(20-8-12-22(25)13-9-20)21-10-14-23(27-2)15-11-21/h3-15,18,24,26H,16-17H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine?
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine has a molecular weight of 363.48 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 3915903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).