(2R)-4-(3-fluorophenyl)butan-2-amine

C10H14FN — CID 22831507

IUPAC(2R)-4-(3-fluorophenyl)butan-2-amine
SMILESC[C@@H](N)CCc1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3/t8-/m1/s1
InChIKeyCBTPZQTYRUCYFI-MRVPVSSYSA-N
MW167.23 g/mol
LogP2.11
Rot. Bonds3

About (2R)-4-(3-fluorophenyl)butan-2-amine

(2R)-4-(3-fluorophenyl)butan-2-amine (PubChem CID 22831507) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2R)-4-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(3-fluorophenyl)butan-2-amine
PubChem CID22831507
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2R)-4-(3-fluorophenyl)butan-2-amine
SMILESC[C@@H](N)CCc1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3/t8-/m1/s1
InChIKeyCBTPZQTYRUCYFI-MRVPVSSYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
1-(3,3-diethoxypropyl)-3-fluorobenzene
CID 146004750
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
(2S)-4-phenylbutan-2-amine
CID 6994564
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluorophenyl)butan-2-amine?
The IUPAC name of (2R)-4-(3-fluorophenyl)butan-2-amine (CID 22831507) is (2R)-4-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for (2R)-4-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for (2R)-4-(3-fluorophenyl)butan-2-amine is C[C@@H](N)CCc1cccc(F)c1.
What is the InChIKey of (2R)-4-(3-fluorophenyl)butan-2-amine?
The InChIKey is CBTPZQTYRUCYFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8H,5-6,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(3-fluorophenyl)butan-2-amine?
(2R)-4-(3-fluorophenyl)butan-2-amine has a molecular weight of 167.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 22831507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).