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

C18H22FNO — CID 82160549

IUPAC2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccccc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-13(2)21-18-6-4-3-5-15(18)11-16(12-20)14-7-9-17(19)10-8-14/h3-10,13,16H,11-12,20H2,1-2H3
InChIKeyGERHYIUGZIMQJD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.90
Rot. Bonds6

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

2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 82160549) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID82160549
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1ccccc1CC(CN)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-13(2)21-18-6-4-3-5-15(18)11-16(12-20)14-7-9-17(19)10-8-14/h3-10,13,16H,11-12,20H2,1-2H3
InChIKeyGERHYIUGZIMQJD-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
3-(2-bromophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 79442108
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 82160331
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 82160885
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
3-[2-(2-methylpropoxy)phenyl]-2-phenylpropan-1-amine
CID 82160440
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
2-(4-fluorophenyl)-3-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 83973798
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine (CID 82160549) is 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1ccccc1CC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is GERHYIUGZIMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13(2)21-18-6-4-3-5-15(18)11-16(12-20)14-7-9-17(19)10-8-14/h3-10,13,16H,11-12,20H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine?
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 82160549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).