1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C16H26FNO — CID 107130389

IUPAC1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-6-9-18-15(11-16(3,4)19-5)13-8-7-12(2)14(17)10-13/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeyYPVWBTLWHSXBDN-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.99
Rot. Bonds7

About 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 107130389) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID107130389
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-6-9-18-15(11-16(3,4)19-5)13-8-7-12(2)14(17)10-13/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeyYPVWBTLWHSXBDN-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-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-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 107130939
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
N-[2-tert-butylsulfanyl-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 65132803
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 107130389) is 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is YPVWBTLWHSXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-9-18-15(11-16(3,4)19-5)13-8-7-12(2)14(17)10-13/h7-8,10,15,18H,6,9,11H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 107130389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).