(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine

C11H16FN — CID 124704459

IUPAC(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc([C@@H](N)CF)cc1
InChIInChI=1S/C11H16FN/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8,11H,7,13H2,1-2H3/t11-/m0/s1
InChIKeySELKDNORERBOBK-NSHDSACASA-N
MW181.25 g/mol
LogP2.78
Rot. Bonds3

About (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine

(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 124704459) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID124704459
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc([C@@H](N)CF)cc1
InChIInChI=1S/C11H16FN/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8,11H,7,13H2,1-2H3/t11-/m0/s1
InChIKeySELKDNORERBOBK-NSHDSACASA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-fluoroethanamine
CID 83816513
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171200402
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
CID 29059873
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
2,4-diamino-4-(4-propan-2-ylphenyl)butanoic acid
CID 116942627

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine (CID 124704459) is (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc([C@@H](N)CF)cc1.
What is the InChIKey of (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is SELKDNORERBOBK-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8,11H,7,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine?
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 181.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 124704459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).