1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine

C17H28FN — CID 105375522

IUPAC1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCc1cc(F)ccc1C
InChIInChI=1S/C17H28FN/c1-4-7-17(19-12-5-2)9-6-8-15-13-16(18)11-10-14(15)3/h10-11,13,17,19H,4-9,12H2,1-3H3
InChIKeyKXANHQCBMCIYLX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.63
Rot. Bonds9

About 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine

1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine (PubChem CID 105375522) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
PubChem CID105375522
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCc1cc(F)ccc1C
InChIInChI=1S/C17H28FN/c1-4-7-17(19-12-5-2)9-6-8-15-13-16(18)11-10-14(15)3/h10-11,13,17,19H,4-9,12H2,1-3H3
InChIKeyKXANHQCBMCIYLX-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 105374110
6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
CID 105375532
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-propylheptan-4-amine
CID 66361681
1-(3-bromo-2,6-difluorophenyl)-N-propylheptan-4-amine
CID 106272992
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
CID 105372347
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine (CID 105375522) is 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine is CCCNC(CCC)CCCc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine?
The InChIKey is KXANHQCBMCIYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-7-17(19-12-5-2)9-6-8-15-13-16(18)11-10-14(15)3/h10-11,13,17,19H,4-9,12H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine?
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine has a molecular weight of 265.42 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine is sourced from PubChem (CID 105375522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).