N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline

C14H17F2NO — CID 43094225

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C14H17F2NO/c15-14(16)18-13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-2,4-5,8-9,11,14,17H,3,6-7,10H2
InChIKeyDXWQUSLVRMCRQX-UHFFFAOYSA-N
MW253.29 g/mol
LogP4.06
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline

N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline (PubChem CID 43094225) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
PubChem CID43094225
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
SMILESFC(F)Oc1ccccc1NCC1CC=CCC1
InChIInChI=1S/C14H17F2NO/c15-14(16)18-13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-2,4-5,8-9,11,14,17H,3,6-7,10H2
InChIKeyDXWQUSLVRMCRQX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-(difluoromethoxy)aniline
CID 43104519
N-(cyclohex-3-en-1-ylmethyl)-2-(methoxymethyl)aniline
CID 43677789
N-(cyclohex-3-en-1-ylmethyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 43677090
2-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]-N-methylacetamide
CID 43692145
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218655
N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102283
[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 110011353
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline (CID 43094225) is N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline is FC(F)Oc1ccccc1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline?
The InChIKey is DXWQUSLVRMCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-14(16)18-13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-2,4-5,8-9,11,14,17H,3,6-7,10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline?
N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline has a molecular weight of 253.29 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline is sourced from PubChem (CID 43094225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).