N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine

C14H22FNO — CID 103396732

IUPACN-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CCCNC(C)(C)C)c(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,3)16-9-5-6-11-7-8-12(17-4)10-13(11)15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyAFKYAUPTCJPNKS-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.15
Rot. Bonds5

About N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine

N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine (PubChem CID 103396732) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
PubChem CID103396732
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CCCNC(C)(C)C)c(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,3)16-9-5-6-11-7-8-12(17-4)10-13(11)15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyAFKYAUPTCJPNKS-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.15
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-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
2-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 102878757
N-[3-(2-bromo-4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 62528631
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
4-(3-bromo-4-fluorophenoxy)-N-tert-butylbutan-1-amine
CID 83234495
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
CID 59418410
CID 59418410
N-[2-[5-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 102885570
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306008
1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83910871

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine (CID 103396732) is N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine is COc1ccc(CCCNC(C)(C)C)c(F)c1.
What is the InChIKey of N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is AFKYAUPTCJPNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)16-9-5-6-11-7-8-12(17-4)10-13(11)15/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine?
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103396732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).