1-(2-fluorophenyl)propan-1-amine

C9H12FN — CID 18439474

IUPAC1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)c1ccccc1F
InChIInChI=1S/C9H12FN/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9H,2,11H2,1H3
InChIKeyCQTLDYYIWIOAAV-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.24
Rot. Bonds2

About 1-(2-fluorophenyl)propan-1-amine

1-(2-fluorophenyl)propan-1-amine (PubChem CID 18439474) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)propan-1-amine
PubChem CID18439474
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)c1ccccc1F
InChIInChI=1S/C9H12FN/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9H,2,11H2,1H3
InChIKeyCQTLDYYIWIOAAV-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
2-(1-aminopropyl)-6-fluoroaniline
CID 55282936
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
2-(1-aminopropyl)benzenethiol
CID 22286714
2-[(1S)-1-aminopropyl]benzenethiol
CID 55292723
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)propan-1-amine (CID 18439474) is 1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)propan-1-amine is CCC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)propan-1-amine?
The InChIKey is CQTLDYYIWIOAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6,9H,2,11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)propan-1-amine?
1-(2-fluorophenyl)propan-1-amine has a molecular weight of 153.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 18439474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).