N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine

C24H25ClFNO — CID 4298289

IUPACN-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CCNC(C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25ClFNO/c1-17(18-3-9-21(25)10-4-18)27-16-15-24(19-5-11-22(26)12-6-19)20-7-13-23(28-2)14-8-20/h3-14,17,24,27H,15-16H2,1-2H3
InChIKeyNBOHSATYJQEGLE-UHFFFAOYSA-N
MW397.92 g/mol
LogP6.36
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine

N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 4298289) has the molecular formula C24H25ClFNO and a molecular weight of 397.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID4298289
Molecular FormulaC24H25ClFNO
Molecular Weight397.92 g/mol
Exact Mass397.16
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CCNC(C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25ClFNO/c1-17(18-3-9-21(25)10-4-18)27-16-15-24(19-5-11-22(26)12-6-19)20-7-13-23(28-2)14-8-20/h3-14,17,24,27H,15-16H2,1-2H3
InChIKeyNBOHSATYJQEGLE-UHFFFAOYSA-N
XLogP6.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.92
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium
CID 2045527
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
3-(2-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 2965324
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 4298289) is N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(CCNC(C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is NBOHSATYJQEGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFNO/c1-17(18-3-9-21(25)10-4-18)27-16-15-24(19-5-11-22(26)12-6-19)20-7-13-23(28-2)14-8-20/h3-14,17,24,27H,15-16H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 397.92 g/mol, XLogP of 6.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 4298289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).