2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine

C18H22FN — CID 63081353

IUPAC2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-3-18(4-2,15-10-6-5-7-11-15)17(20)14-9-8-12-16(19)13-14/h5-13,17H,3-4,20H2,1-2H3
InChIKeyBHIDXMRYPDDFOS-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.58
Rot. Bonds5

About 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine

2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine (PubChem CID 63081353) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
PubChem CID63081353
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-3-18(4-2,15-10-6-5-7-11-15)17(20)14-9-8-12-16(19)13-14/h5-13,17H,3-4,20H2,1-2H3
InChIKeyBHIDXMRYPDDFOS-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 116726326
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine (CID 63081353) is 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(N)c1cccc(F)c1.
What is the InChIKey of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine?
The InChIKey is BHIDXMRYPDDFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-18(4-2,15-10-6-5-7-11-15)17(20)14-9-8-12-16(19)13-14/h5-13,17H,3-4,20H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine?
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 63081353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).