N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline

C15H21NO2 — CID 28614317

IUPACN-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC[C@H]2CC=CCC2)cc(OC)c1
InChIInChI=1S/C15H21NO2/c1-17-14-8-13(9-15(10-14)18-2)16-11-12-6-4-3-5-7-12/h3-4,8-10,12,16H,5-7,11H2,1-2H3/t12-/m0/s1
InChIKeyYNRNECNTOSVIQS-LBPRGKRZSA-N
MW247.34 g/mol
LogP3.47
Rot. Bonds5

About N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline

N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline (PubChem CID 28614317) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
PubChem CID28614317
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC[C@H]2CC=CCC2)cc(OC)c1
InChIInChI=1S/C15H21NO2/c1-17-14-8-13(9-15(10-14)18-2)16-11-12-6-4-3-5-7-12/h3-4,8-10,12,16H,5-7,11H2,1-2H3/t12-/m0/s1
InChIKeyYNRNECNTOSVIQS-LBPRGKRZSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
CID 22747580
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
(1S)-N-[2-(3,5-dimethoxyanilino)ethyl]cyclohex-3-ene-1-carboxamide
CID 97240363
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
N-[4-(cyclohex-3-en-1-ylmethylamino)phenyl]acetamide
CID 43200802
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773
5-methoxy-3-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,3-diamine
CID 80739096
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974
[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
CID 54880206

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline (CID 28614317) is N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline is COc1cc(NC[C@H]2CC=CCC2)cc(OC)c1.
What is the InChIKey of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline?
The InChIKey is YNRNECNTOSVIQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-8-13(9-15(10-14)18-2)16-11-12-6-4-3-5-7-12/h3-4,8-10,12,16H,5-7,11H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline?
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline has a molecular weight of 247.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 28614317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).