N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine

C18H30FN — CID 114828384

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-15(2)8-6-4-5-7-13-20-16(3)14-17-9-11-18(19)12-10-17/h9-12,15-16,20H,4-8,13-14H2,1-3H3
InChIKeyYHIJJSQUXCNVLK-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.95
Rot. Bonds10

About N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine (PubChem CID 114828384) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
PubChem CID114828384
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FN/c1-15(2)8-6-4-5-7-13-20-16(3)14-17-9-11-18(19)12-10-17/h9-12,15-16,20H,4-8,13-14H2,1-3H3
InChIKeyYHIJJSQUXCNVLK-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-(2,8-dimethylnonyl)-4-fluorobenzene;ethane
CID 162726876
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
5-fluoro-N-[1-(4-methylphenyl)propan-2-yl]pentan-1-amine
CID 110174705
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine (CID 114828384) is N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine is CC(C)CCCCCCNC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine?
The InChIKey is YHIJJSQUXCNVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-15(2)8-6-4-5-7-13-20-16(3)14-17-9-11-18(19)12-10-17/h9-12,15-16,20H,4-8,13-14H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine is sourced from PubChem (CID 114828384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).