1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

C17H28FNO — CID 115849720

IUPAC1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H28FNO/c1-6-11-19-15(9-10-17(2,3)4)13-7-8-16(20-5)14(18)12-13/h7-8,12,15,19H,6,9-11H2,1-5H3
InChIKeyBULREXIRYYJIHX-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.70
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 115849720) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID115849720
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H28FNO/c1-6-11-19-15(9-10-17(2,3)4)13-7-8-16(20-5)14(18)12-13/h7-8,12,15,19H,6,9-11H2,1-5H3
InChIKeyBULREXIRYYJIHX-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
3-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propanoic acid
CID 65234362
N-[1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65136905
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 115849720) is 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is BULREXIRYYJIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-11-19-15(9-10-17(2,3)4)13-7-8-16(20-5)14(18)12-13/h7-8,12,15,19H,6,9-11H2,1-5H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.70, 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-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 115849720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).