3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine

C22H21ClFN — CID 19073588

IUPAC3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(-c2ccccc2)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClFN/c1-15(25)21(18-8-10-19(23)11-9-18)13-16-7-12-20(22(24)14-16)17-5-3-2-4-6-17/h2-12,14-15,21H,13,25H2,1H3
InChIKeyFDMGOODGFSMQTI-UHFFFAOYSA-N
MW353.87 g/mol
LogP5.82
Rot. Bonds5

About 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine

3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine (PubChem CID 19073588) has the molecular formula C22H21ClFN and a molecular weight of 353.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
PubChem CID19073588
Molecular FormulaC22H21ClFN
Molecular Weight353.87 g/mol
Exact Mass353.13
IUPAC Name3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(-c2ccccc2)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClFN/c1-15(25)21(18-8-10-19(23)11-9-18)13-16-7-12-20(22(24)14-16)17-5-3-2-4-6-17/h2-12,14-15,21H,13,25H2,1H3
InChIKeyFDMGOODGFSMQTI-UHFFFAOYSA-N
XLogP5.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
(2S,3S)-4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)-2-methylbutan-1-amine
CID 57320288
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
3-(4-bromophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 19073662
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
4-(2-chlorophenyl)-3-(4-chlorophenyl)butan-2-amine
CID 19073641
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
2-[4-(4-chlorophenyl)-3-(4-phenylphenyl)butan-2-yl]isoindole-1,3-dione
CID 19073645
2-[2-[[4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-yl]amino]-2-oxoethyl]butanedioic acid
CID 19073585
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine (CID 19073588) is 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine is CC(N)C(Cc1ccc(-c2ccccc2)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine?
The InChIKey is FDMGOODGFSMQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN/c1-15(25)21(18-8-10-19(23)11-9-18)13-16-7-12-20(22(24)14-16)17-5-3-2-4-6-17/h2-12,14-15,21H,13,25H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine?
3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine has a molecular weight of 353.87 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-fluoro-4-phenylphenyl)butan-2-amine is sourced from PubChem (CID 19073588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).