N-[(4-fluorophenyl)methyl]hexan-3-amine

C13H20FN — CID 62118907

IUPACN-[(4-fluorophenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-5-13(4-2)15-10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyNXBIGTNBPZANCJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]hexan-3-amine

N-[(4-fluorophenyl)methyl]hexan-3-amine (PubChem CID 62118907) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]hexan-3-amine
PubChem CID62118907
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[(4-fluorophenyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-5-13(4-2)15-10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3
InChIKeyNXBIGTNBPZANCJ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]octan-4-amine
CID 114138071
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
N-[(4-chloro-3-fluorophenyl)methyl]hexan-3-amine
CID 62118933
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
N-[(4-fluorophenyl)methyl]-1-(trifluoromethoxy)butan-2-amine
CID 75530130
1-(4-fluorophenyl)-2-(hexan-3-ylamino)ethanol
CID 62118004
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
N-[(1-methylpyrrol-3-yl)methyl]hexan-3-amine
CID 66398785
N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
CID 62119825
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
CID 62117418

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]hexan-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]hexan-3-amine (CID 62118907) is N-[(4-fluorophenyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]hexan-3-amine is CCCC(CC)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]hexan-3-amine?
The InChIKey is NXBIGTNBPZANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-5-13(4-2)15-10-11-6-8-12(14)9-7-11/h6-9,13,15H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]hexan-3-amine?
N-[(4-fluorophenyl)methyl]hexan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]hexan-3-amine is sourced from PubChem (CID 62118907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).