1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine

C18H22FN — CID 114833794

IUPAC1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
SMILESCCCc1cccc(C(C)(N)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN/c1-3-5-14-6-4-7-16(12-14)18(2,20)13-15-8-10-17(19)11-9-15/h4,6-12H,3,5,13,20H2,1-2H3
InChIKeyKCJAFNZYECSAES-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine

1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine (PubChem CID 114833794) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
PubChem CID114833794
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine
SMILESCCCc1cccc(C(C)(N)Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FN/c1-3-5-14-6-4-7-16(12-14)18(2,20)13-15-8-10-17(19)11-9-15/h4,6-12H,3,5,13,20H2,1-2H3
InChIKeyKCJAFNZYECSAES-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
3-(4-fluorophenyl)propylazanide;3-propylaniline;tungsten
CID 170631465

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine (CID 114833794) is 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine is CCCc1cccc(C(C)(N)Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine?
The InChIKey is KCJAFNZYECSAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-5-14-6-4-7-16(12-14)18(2,20)13-15-8-10-17(19)11-9-15/h4,6-12H,3,5,13,20H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine?
1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-propylphenyl)propan-2-amine is sourced from PubChem (CID 114833794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).