1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine

C13H17F2NO2 — CID 126963402

IUPAC1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CC2)c(OC(F)F)c1
InChIInChI=1S/C13H17F2NO2/c1-8(16)10-4-5-11(17-7-9-2-3-9)12(6-10)18-13(14)15/h4-6,8-9,13H,2-3,7,16H2,1H3
InChIKeyWZGCMHWIJFBECE-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.10
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine

1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 126963402) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
PubChem CID126963402
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CC2)c(OC(F)F)c1
InChIInChI=1S/C13H17F2NO2/c1-8(16)10-4-5-11(17-7-9-2-3-9)12(6-10)18-13(14)15/h4-6,8-9,13H,2-3,7,16H2,1H3
InChIKeyWZGCMHWIJFBECE-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 134541503
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
CID 174834345
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
CID 68521776
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propyl]pyridine
CID 71201853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine (CID 126963402) is 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine is CC(N)c1ccc(OCC2CC2)c(OC(F)F)c1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is WZGCMHWIJFBECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(16)10-4-5-11(17-7-9-2-3-9)12(6-10)18-13(14)15/h4-6,8-9,13H,2-3,7,16H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine?
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 257.28 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 126963402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).