1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine

C15H24FN — CID 60820444

IUPAC1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H24FN/c1-5-10-17-14(15(2,3)4)11-12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyNRRSQSLAUUSIRC-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds5

About 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine

1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 60820444) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID60820444
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H24FN/c1-5-10-17-14(15(2,3)4)11-12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyNRRSQSLAUUSIRC-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
4-[3,3-dimethyl-2-(propylamino)butyl]-N-methylbenzenesulfonamide
CID 63201770
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine (CID 60820444) is 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(Cc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is NRRSQSLAUUSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-10-17-14(15(2,3)4)11-12-6-8-13(16)9-7-12/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine?
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 60820444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).