N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline

C18H21NO2 — CID 101075885

IUPACN-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(N(Cc2ccco2)C2C=CCCC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-17-11-9-16(10-12-17)19(14-18-8-5-13-21-18)15-6-3-2-4-7-15/h3,5-6,8-13,15H,2,4,7,14H2,1H3
InChIKeyVEKLJVUBPBAXHZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.40
Rot. Bonds5

About N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline

N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline (PubChem CID 101075885) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline
PubChem CID101075885
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(N(Cc2ccco2)C2C=CCCC2)cc1
InChIInChI=1S/C18H21NO2/c1-20-17-11-9-16(10-12-17)19(14-18-8-5-13-21-18)15-6-3-2-4-7-15/h3,5-6,8-13,15H,2,4,7,14H2,1H3
InChIKeyVEKLJVUBPBAXHZ-UHFFFAOYSA-N
XLogP4.40
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
4-[cyclopropyl(furan-2-ylmethyl)amino]benzaldehyde
CID 55003500
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-5-methoxyaniline
CID 81299175
N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
CID 54080971
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 55038382
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline?
The IUPAC name of N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline (CID 101075885) is N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline?
The canonical SMILES for N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline is COc1ccc(N(Cc2ccco2)C2C=CCCC2)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline?
The InChIKey is VEKLJVUBPBAXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-11-9-16(10-12-17)19(14-18-8-5-13-21-18)15-6-3-2-4-7-15/h3,5-6,8-13,15H,2,4,7,14H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline?
N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline has a molecular weight of 283.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-N-(furan-2-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 101075885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).