1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine

C18H21ClFN — CID 102618741

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
SMILESCCNC(CCc1ccccc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-21-17(10-8-14-6-4-3-5-7-14)13-15-12-16(20)9-11-18(15)19/h3-7,9,11-12,17,21H,2,8,10,13H2,1H3
InChIKeyBFOGVKNXEBTRKY-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.63
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine (PubChem CID 102618741) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
PubChem CID102618741
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
SMILESCCNC(CCc1ccccc1)Cc1cc(F)ccc1Cl
InChIInChI=1S/C18H21ClFN/c1-2-21-17(10-8-14-6-4-3-5-7-14)13-15-12-16(20)9-11-18(15)19/h3-7,9,11-12,17,21H,2,8,10,13H2,1H3
InChIKeyBFOGVKNXEBTRKY-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63416964
1-(2-chloro-5-fluorophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 102619141
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
N-ethyl-1-(2-methylphenyl)-4-phenylbutan-2-amine
CID 61065597
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2,5-difluorophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105105357
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine (CID 102618741) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine is CCNC(CCc1ccccc1)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine?
The InChIKey is BFOGVKNXEBTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-21-17(10-8-14-6-4-3-5-7-14)13-15-12-16(20)9-11-18(15)19/h3-7,9,11-12,17,21H,2,8,10,13H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine has a molecular weight of 305.82 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine is sourced from PubChem (CID 102618741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).