(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine

C15H21F2NO — CID 116769928

IUPAC(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C15H21F2NO/c1-19-15(8-4-2-3-5-9-15)14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14H,2-5,8-9,18H2,1H3
InChIKeyITFKUYSSTAPWFC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.70
Rot. Bonds3

About (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine

(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine (PubChem CID 116769928) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
PubChem CID116769928
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
SMILESCOC1(C(N)c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C15H21F2NO/c1-19-15(8-4-2-3-5-9-15)14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14H,2-5,8-9,18H2,1H3
InChIKeyITFKUYSSTAPWFC-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
1-[amino-(2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 116947042
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
CID 116762780
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
[(5-fluoro-2-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275942
[(2-chloro-5-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105397994
[1-[amino-(2,4-difluorophenyl)methyl]cyclopropyl]methanol
CID 116943233

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine (CID 116769928) is (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine is COC1(C(N)c2ccc(F)cc2F)CCCCCC1.
What is the InChIKey of (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine?
The InChIKey is ITFKUYSSTAPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-19-15(8-4-2-3-5-9-15)14(18)12-7-6-11(16)10-13(12)17/h6-7,10,14H,2-5,8-9,18H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine?
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine has a molecular weight of 269.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine is sourced from PubChem (CID 116769928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).