(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine

C12H18FN — CID 94457975

IUPAC(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1ccccc1F
InChIInChI=1S/C12H18FN/c1-9(2)7-8-12(14)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8,14H2,1-2H3/t12-/m1/s1
InChIKeyGZAYIUATFJQBKR-GFCCVEGCSA-N
MW195.28 g/mol
LogP3.26
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine

(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine (PubChem CID 94457975) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
PubChem CID94457975
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1ccccc1F
InChIInChI=1S/C12H18FN/c1-9(2)7-8-12(14)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8,14H2,1-2H3/t12-/m1/s1
InChIKeyGZAYIUATFJQBKR-GFCCVEGCSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine (CID 94457975) is (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine?
The InChIKey is GZAYIUATFJQBKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)7-8-12(14)10-5-3-4-6-11(10)13/h3-6,9,12H,7-8,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine?
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 94457975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).