4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine

C16H26FN — CID 65303435

IUPAC4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCc1cc(CCCCNCC(C)C)cc(C)c1F
InChIInChI=1S/C16H26FN/c1-12(2)11-18-8-6-5-7-15-9-13(3)16(17)14(4)10-15/h9-10,12,18H,5-8,11H2,1-4H3
InChIKeyWNCZTJNJTWVPNS-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.01
Rot. Bonds7

About 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine

4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 65303435) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID65303435
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCc1cc(CCCCNCC(C)C)cc(C)c1F
InChIInChI=1S/C16H26FN/c1-12(2)11-18-8-6-5-7-15-9-13(3)16(17)14(4)10-15/h9-10,12,18H,5-8,11H2,1-4H3
InChIKeyWNCZTJNJTWVPNS-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.01
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

6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 83048538
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305831
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
4-[3-(difluoromethyl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 113329285
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine
CID 81158945
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine (CID 65303435) is 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine is Cc1cc(CCCCNCC(C)C)cc(C)c1F.
What is the InChIKey of 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is WNCZTJNJTWVPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12(2)11-18-8-6-5-7-15-9-13(3)16(17)14(4)10-15/h9-10,12,18H,5-8,11H2,1-4H3.
What are the key properties of 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine?
4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 65303435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).