N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline

C15H21NO — CID 61059642

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCC2CC=CCC2)cc1C
InChIInChI=1S/C15H21NO/c1-12-10-14(8-9-15(12)17-2)16-11-13-6-4-3-5-7-13/h3-4,8-10,13,16H,5-7,11H2,1-2H3
InChIKeyTZPNDTIFBHEMOY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.77
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline

N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline (PubChem CID 61059642) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
PubChem CID61059642
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCC2CC=CCC2)cc1C
InChIInChI=1S/C15H21NO/c1-12-10-14(8-9-15(12)17-2)16-11-13-6-4-3-5-7-13/h3-4,8-10,13,16H,5-7,11H2,1-2H3
InChIKeyTZPNDTIFBHEMOY-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
CID 54880206
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-(difluoromethoxy)aniline
CID 43104519
3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide
CID 43735274
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974
4-methoxy-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610681
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 43746332
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225394
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline (CID 61059642) is N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline is COc1ccc(NCC2CC=CCC2)cc1C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline?
The InChIKey is TZPNDTIFBHEMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-10-14(8-9-15(12)17-2)16-11-13-6-4-3-5-7-13/h3-4,8-10,13,16H,5-7,11H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline?
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline has a molecular weight of 231.34 g/mol, XLogP of 3.77, 4 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)-4-methoxy-3-methylaniline is sourced from PubChem (CID 61059642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).