N-[(4-fluorophenyl)methyl]octan-4-amine

C15H24FN — CID 114138071

IUPACN-[(4-fluorophenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-3-5-7-15(6-4-2)17-12-13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3
InChIKeyHZUDNKKMBZIYFG-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.27
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]octan-4-amine

N-[(4-fluorophenyl)methyl]octan-4-amine (PubChem CID 114138071) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]octan-4-amine
PubChem CID114138071
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[(4-fluorophenyl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-3-5-7-15(6-4-2)17-12-13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3
InChIKeyHZUDNKKMBZIYFG-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]hexan-3-amine
CID 62118907
N-[(3,5-difluorophenyl)methyl]octan-4-amine
CID 106023055
N-[(2-bromo-4-fluorophenyl)methyl]octan-4-amine
CID 106023088
N-[(2,6-difluorophenyl)methyl]octan-4-amine
CID 106023231
N-(naphthalen-2-ylmethyl)octan-4-amine
CID 106023636
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306
N-benzyltridecan-6-amine
CID 166644944
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
CID 28550265
N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
CID 106023567
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
2,6-dimethyl-4-[(octan-4-ylamino)methyl]phenol
CID 106023126

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]octan-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]octan-4-amine (CID 114138071) is N-[(4-fluorophenyl)methyl]octan-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]octan-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]octan-4-amine is CCCCC(CCC)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]octan-4-amine?
The InChIKey is HZUDNKKMBZIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-3-5-7-15(6-4-2)17-12-13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]octan-4-amine?
N-[(4-fluorophenyl)methyl]octan-4-amine has a molecular weight of 237.36 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]octan-4-amine is sourced from PubChem (CID 114138071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).