(2-fluoro-3-propylphenyl)methanamine

C10H14FN — CID 139576799

IUPAC(2-fluoro-3-propylphenyl)methanamine
SMILESCCCc1cccc(CN)c1F
InChIInChI=1S/C10H14FN/c1-2-4-8-5-3-6-9(7-12)10(8)11/h3,5-6H,2,4,7,12H2,1H3
InChIKeyVBJRYQRQRSZVRH-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.24
Rot. Bonds3

About (2-fluoro-3-propylphenyl)methanamine

(2-fluoro-3-propylphenyl)methanamine (PubChem CID 139576799) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2-fluoro-3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-propylphenyl)methanamine
PubChem CID139576799
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2-fluoro-3-propylphenyl)methanamine
SMILESCCCc1cccc(CN)c1F
InChIInChI=1S/C10H14FN/c1-2-4-8-5-3-6-9(7-12)10(8)11/h3,5-6H,2,4,7,12H2,1H3
InChIKeyVBJRYQRQRSZVRH-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methyl-3-propylbenzene
CID 54557935
(2,4-difluoro-3-propylphenyl)methanamine
CID 165472681
2-fluoro-3-propylbenzaldehyde
CID 174795778
(2,3-difluorophenyl)methanamine
CID 2736941
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
4-[2-(aminomethyl)-6-propylphenyl]phenol
CID 151399870
(2-fluoro-3-iodophenyl)methanamine
CID 71042623
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
1-fluoro-5-propylnaphthalene
CID 143275008
CID 160803924
CID 160803924
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-propylphenyl)methanamine?
The IUPAC name of (2-fluoro-3-propylphenyl)methanamine (CID 139576799) is (2-fluoro-3-propylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-3-propylphenyl)methanamine?
The canonical SMILES for (2-fluoro-3-propylphenyl)methanamine is CCCc1cccc(CN)c1F.
What is the InChIKey of (2-fluoro-3-propylphenyl)methanamine?
The InChIKey is VBJRYQRQRSZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-2-4-8-5-3-6-9(7-12)10(8)11/h3,5-6H,2,4,7,12H2,1H3.
What are the key properties of (2-fluoro-3-propylphenyl)methanamine?
(2-fluoro-3-propylphenyl)methanamine has a molecular weight of 167.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-propylphenyl)methanamine is sourced from PubChem (CID 139576799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).