1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine

C15H24FN — CID 79703432

IUPAC1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C(C)(C)C
InChIInChI=1S/C15H24FN/c1-6-7-17-14(15(3,4)5)12-8-11(2)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3
InChIKeyZOBBDAITYNNZTL-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.22
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine

1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 79703432) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID79703432
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)C(C)(C)C
InChIInChI=1S/C15H24FN/c1-6-7-17-14(15(3,4)5)12-8-11(2)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3
InChIKeyZOBBDAITYNNZTL-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
N-[2-ethylsulfanyl-1-(3-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 79704216
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 43495790

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 79703432) is 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cc(C)cc(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is ZOBBDAITYNNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-6-7-17-14(15(3,4)5)12-8-11(2)9-13(16)10-12/h8-10,14,17H,6-7H2,1-5H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 79703432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).