N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine

C16H22FNO — CID 102649130

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1cc(C)ccc1F
InChIInChI=1S/C16H22FNO/c1-3-9-18-16(15-6-4-5-10-19-15)13-11-12(2)7-8-14(13)17/h6-8,11,16,18H,3-5,9-10H2,1-2H3
InChIKeyWUSJJYINJWCACK-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.87
Rot. Bonds5

About N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 102649130) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID102649130
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)c1cc(C)ccc1F
InChIInChI=1S/C16H22FNO/c1-3-9-18-16(15-6-4-5-10-19-15)13-11-12(2)7-8-14(13)17/h6-8,11,16,18H,3-5,9-10H2,1-2H3
InChIKeyWUSJJYINJWCACK-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102647915
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
N-[(3,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647282
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102649591
N-[(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649482
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 102649130) is N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)c1cc(C)ccc1F.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is WUSJJYINJWCACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-9-18-16(15-6-4-5-10-19-15)13-11-12(2)7-8-14(13)17/h6-8,11,16,18H,3-5,9-10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 102649130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).