2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine

C15H21F2NO — CID 82930013

IUPAC2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
SMILESNCCc1cc(F)c(OC2CCCCCC2)c(F)c1
InChIInChI=1S/C15H21F2NO/c16-13-9-11(7-8-18)10-14(17)15(13)19-12-5-3-1-2-4-6-12/h9-10,12H,1-8,18H2
InChIKeyVXMFVNWCIQEGPA-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine

2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine (PubChem CID 82930013) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
PubChem CID82930013
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
SMILESNCCc1cc(F)c(OC2CCCCCC2)c(F)c1
InChIInChI=1S/C15H21F2NO/c16-13-9-11(7-8-18)10-14(17)15(13)19-12-5-3-1-2-4-6-12/h9-10,12H,1-8,18H2
InChIKeyVXMFVNWCIQEGPA-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 79887676
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
4-cyclobutyloxy-3,5-difluoroaniline
CID 62115960
N-[(4-cyclohexyloxy-3,5-difluorophenyl)methyl]-2-methylpropan-2-amine
CID 79883669
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
4-cyclopentyloxy-3,5-difluorobenzenecarbothioamide
CID 81286677
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
N-[[3,5-difluoro-4-(3-methoxycyclohexyl)oxyphenyl]methyl]ethanamine
CID 79882223

Frequently Asked Questions

What is the IUPAC name of 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine (CID 82930013) is 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine is NCCc1cc(F)c(OC2CCCCCC2)c(F)c1.
What is the InChIKey of 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine?
The InChIKey is VXMFVNWCIQEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-13-9-11(7-8-18)10-14(17)15(13)19-12-5-3-1-2-4-6-12/h9-10,12H,1-8,18H2.
What are the key properties of 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine?
2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 82930013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).