N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine

C16H25NO — CID 79337069

IUPACN-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-13(2)16-7-5-15(6-8-16)11-14(3)12-17-9-10-18-4/h5-8,11,13,17H,9-10,12H2,1-4H3
InChIKeyYJGVRNTWIQRCDQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine

N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine (PubChem CID 79337069) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
PubChem CID79337069
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
SMILESCOCCNCC(C)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-13(2)16-7-5-15(6-8-16)11-14(3)12-17-9-10-18-4/h5-8,11,13,17H,9-10,12H2,1-4H3
InChIKeyYJGVRNTWIQRCDQ-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337172
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
(E)-3-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 81156215
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
(E)-3-(3-chloro-5-fluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 114455133
N-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)pent-3-en-1-amine
CID 79607909
(E)-N-(2-methoxyethyl)-2-methyl-3-(2-methylquinolin-6-yl)prop-2-en-1-amine
CID 105379788
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
N-(2-methoxyethyl)-2-methyl-3-(3-nitrophenyl)prop-2-en-1-amine
CID 79337978
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine (CID 79337069) is N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine is COCCNCC(C)=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine?
The InChIKey is YJGVRNTWIQRCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)16-7-5-15(6-8-16)11-14(3)12-17-9-10-18-4/h5-8,11,13,17H,9-10,12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79337069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).