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

C16H26FN — CID 114834921

IUPAC1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-5-10-18-16(12(2)3)13(4)11-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyCKAXSLOFSDBKBA-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.03
Rot. Bonds7

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

1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine (PubChem CID 114834921) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
PubChem CID114834921
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(C(C)C)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-5-10-18-16(12(2)3)13(4)11-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,5,10-11H2,1-4H3
InChIKeyCKAXSLOFSDBKBA-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-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-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
CID 79298844
1-(4-iodophenyl)-2-methyl-N-propylpentan-3-amine
CID 65476823
1-(3-chloro-2-methylpentyl)-4-fluorobenzene
CID 63559740
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine (CID 114834921) is 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine is CCCNC(C(C)C)C(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is CKAXSLOFSDBKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-10-18-16(12(2)3)13(4)11-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine?
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 114834921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).