4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine

C18H22FN — CID 64768756

IUPAC4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)CCc1ccccc1
InChIInChI=1S/C18H22FN/c1-18(2,15-9-11-16(19)12-10-15)17(20)13-8-14-6-4-3-5-7-14/h3-7,9-12,17H,8,13,20H2,1-2H3
InChIKeyQTYWZQKNBGJKRO-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.06
Rot. Bonds5

About 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine

4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine (PubChem CID 64768756) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
PubChem CID64768756
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)CCc1ccccc1
InChIInChI=1S/C18H22FN/c1-18(2,15-9-11-16(19)12-10-15)17(20)13-8-14-6-4-3-5-7-14/h3-7,9-12,17H,8,13,20H2,1-2H3
InChIKeyQTYWZQKNBGJKRO-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-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

3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730
1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64904886
1,1,1,2,2-pentafluoro-5-phenylpentan-3-amine
CID 175153498
4-methyl-4-methylsulfonyl-1-phenylpentan-3-amine
CID 115794021
2-methyl-2-phenylnonan-3-amine
CID 63420123
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
2-methyl-2-phenylhex-5-en-3-amine
CID 63085538

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine (CID 64768756) is 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine is CC(C)(c1ccc(F)cc1)C(N)CCc1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine?
The InChIKey is QTYWZQKNBGJKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-18(2,15-9-11-16(19)12-10-15)17(20)13-8-14-6-4-3-5-7-14/h3-7,9-12,17H,8,13,20H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine?
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine has a molecular weight of 271.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine is sourced from PubChem (CID 64768756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).