4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine

C18H21ClFN — CID 103041652

IUPAC4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClFN/c1-2-21-18(15-8-4-3-5-9-15)10-6-7-14-11-12-17(20)16(19)13-14/h3-5,8-9,11-13,18,21H,2,6-7,10H2,1H3
InChIKeyHDCKCHXIPGVPPI-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.15
Rot. Bonds7

About 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine

4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine (PubChem CID 103041652) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
PubChem CID103041652
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
SMILESCCNC(CCCc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClFN/c1-2-21-18(15-8-4-3-5-9-15)10-6-7-14-11-12-17(20)16(19)13-14/h3-5,8-9,11-13,18,21H,2,6-7,10H2,1H3
InChIKeyHDCKCHXIPGVPPI-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
N-ethyl-3-(3-fluoro-4-methylphenyl)-1-phenylpropan-1-amine
CID 107129437
2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
CID 103041700
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400282
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
3-(3,4-difluorophenyl)-1-phenyl-N-propylpropan-1-amine
CID 64501624
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine (CID 103041652) is 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine is CCNC(CCCc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
The InChIKey is HDCKCHXIPGVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-21-18(15-8-4-3-5-9-15)10-6-7-14-11-12-17(20)16(19)13-14/h3-5,8-9,11-13,18,21H,2,6-7,10H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine?
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 103041652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).