1-(3-fluorophenyl)-4-methoxypentan-1-amine

C12H18FNO — CID 105092989

IUPAC1-(3-fluorophenyl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(15-2)6-7-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7,14H2,1-2H3
InChIKeyKGFIKYIGRCBDJP-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.64
Rot. Bonds5

About 1-(3-fluorophenyl)-4-methoxypentan-1-amine

1-(3-fluorophenyl)-4-methoxypentan-1-amine (PubChem CID 105092989) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methoxypentan-1-amine
PubChem CID105092989
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(3-fluorophenyl)-4-methoxypentan-1-amine
SMILESCOC(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(15-2)6-7-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7,14H2,1-2H3
InChIKeyKGFIKYIGRCBDJP-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
1-(3-fluorophenyl)-2-methoxypropan-1-amine
CID 79616556
1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031125
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(3-fluorophenyl)-methoxymethanamine
CID 116947347
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105140365
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methoxypentan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-4-methoxypentan-1-amine (CID 105092989) is 1-(3-fluorophenyl)-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methoxypentan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-4-methoxypentan-1-amine is COC(C)CCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-methoxypentan-1-amine?
The InChIKey is KGFIKYIGRCBDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(15-2)6-7-12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12H,6-7,14H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-4-methoxypentan-1-amine?
1-(3-fluorophenyl)-4-methoxypentan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-methoxypentan-1-amine is sourced from PubChem (CID 105092989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).