(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine

C11H16FN — CID 42077676

IUPAC(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
SMILESCN[C@H](C)CCc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h5-9,13H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyASDULZHHTPAZHV-SECBINFHSA-N
MW181.25 g/mol
LogP2.37
Rot. Bonds4

About (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine

(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine (PubChem CID 42077676) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
PubChem CID42077676
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
SMILESCN[C@H](C)CCc1ccc(F)cc1
InChIInChI=1S/C11H16FN/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h5-9,13H,3-4H2,1-2H3/t9-/m1/s1
InChIKeyASDULZHHTPAZHV-SECBINFHSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
[(2R)-4-(4-fluorophenyl)butan-2-yl]azanium
CID 7449312
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
1-fluoro-4-(3-iodobutyl)benzene
CID 162353142
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
(2R)-2-[4-(4-fluorophenyl)butan-2-ylamino]propanoic acid
CID 122038156
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
1-(3-chloro-4-methylpentyl)-4-fluorobenzene
CID 63460750
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
N-methyl-4-[4-(2,2,2-trifluoroethoxymethoxy)phenyl]butan-2-amine
CID 106704557
4-(4-fluorophenyl)-1-(propan-2-ylamino)butan-2-ol
CID 112517961

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine?
The IUPAC name of (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine (CID 42077676) is (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine is CN[C@H](C)CCc1ccc(F)cc1.
What is the InChIKey of (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine?
The InChIKey is ASDULZHHTPAZHV-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h5-9,13H,3-4H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine?
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 42077676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).