1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine

C16H26FNO — CID 62679941

IUPAC1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)ccc1OC)C(C)(C)CC
InChIInChI=1S/C16H26FNO/c1-6-10-18-15(16(3,4)7-2)13-11-12(17)8-9-14(13)19-5/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyDHRYNKDEDVMIFP-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.31
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine

1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 62679941) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID62679941
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)ccc1OC)C(C)(C)CC
InChIInChI=1S/C16H26FNO/c1-6-10-18-15(16(3,4)7-2)13-11-12(17)8-9-14(13)19-5/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyDHRYNKDEDVMIFP-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
N-[2-tert-butylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 82770576
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843
N-ethyl-2,2,3,3-tetrafluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 79660521
2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 105018405
1-(5-bromo-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43493898
N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 82770289

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine (CID 62679941) is 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1cc(F)ccc1OC)C(C)(C)CC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is DHRYNKDEDVMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-10-18-15(16(3,4)7-2)13-11-12(17)8-9-14(13)19-5/h8-9,11,15,18H,6-7,10H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 62679941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).