N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline

C18H27NO — CID 103277161

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCC1CC(C)=CC(C)C1
InChIInChI=1S/C18H27NO/c1-14-10-15(2)12-16(11-14)13-19-18-7-5-4-6-17(18)8-9-20-3/h4-7,10,14,16,19H,8-9,11-13H2,1-3H3
InChIKeyFHGGNBYSTDIUQP-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.28
Rot. Bonds6

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline (PubChem CID 103277161) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline
PubChem CID103277161
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCC1CC(C)=CC(C)C1
InChIInChI=1S/C18H27NO/c1-14-10-15(2)12-16(11-14)13-19-18-7-5-4-6-17(18)8-9-20-3/h4-7,10,14,16,19H,8-9,11-13H2,1-3H3
InChIKeyFHGGNBYSTDIUQP-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.28
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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-propan-2-ylaniline
CID 103275978
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3-difluoroaniline
CID 103276631
3-chloro-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methylaniline
CID 103275965
5-chloro-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methoxyaniline
CID 103276003
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-6-fluoropyridin-2-amine
CID 103277143
3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one
CID 106492983
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine
CID 103276011
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 103276062
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
CID 103276432
4-(difluoromethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]aniline
CID 103276060

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline (CID 103277161) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCC1CC(C)=CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline?
The InChIKey is FHGGNBYSTDIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-10-15(2)12-16(11-14)13-19-18-7-5-4-6-17(18)8-9-20-3/h4-7,10,14,16,19H,8-9,11-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline has a molecular weight of 273.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 103277161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).