N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine

C17H28FNO — CID 107814945

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
SMILESCOc1ccc(CNCCCCCCC(C)C)c(F)c1
InChIInChI=1S/C17H28FNO/c1-14(2)8-6-4-5-7-11-19-13-15-9-10-16(20-3)12-17(15)18/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyLJMYFDBPXMRYAH-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.53
Rot. Bonds10

About N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine (PubChem CID 107814945) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
PubChem CID107814945
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
SMILESCOc1ccc(CNCCCCCCC(C)C)c(F)c1
InChIInChI=1S/C17H28FNO/c1-14(2)8-6-4-5-7-11-19-13-15-9-10-16(20-3)12-17(15)18/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyLJMYFDBPXMRYAH-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
5-methoxy-2-[(4-methylpentylamino)methyl]phenol
CID 61263266
3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxybutan-1-amine
CID 114163014
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
N-[(2-chloro-4-fluorophenyl)methyl]-7-methyloctan-1-amine
CID 103604958
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
2-[(4-hydroxypentylamino)methyl]-5-methoxyphenol
CID 107267668
5-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]hexan-1-amine
CID 79003454

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine (CID 107814945) is N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine is COc1ccc(CNCCCCCCC(C)C)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is LJMYFDBPXMRYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-14(2)8-6-4-5-7-11-19-13-15-9-10-16(20-3)12-17(15)18/h9-10,12,14,19H,4-8,11,13H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 107814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).