2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine

C18H31NO — CID 63498326

IUPAC2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCOc1ccccc1CC(CNCC(C)C)CC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)10-16(13-19-12-15(3)4)11-17-8-6-7-9-18(17)20-5/h6-9,14-16,19H,10-13H2,1-5H3
InChIKeyXBDNOAVVIFRNSS-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.15
Rot. Bonds9

About 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine

2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63498326) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID63498326
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCOc1ccccc1CC(CNCC(C)C)CC(C)C
InChIInChI=1S/C18H31NO/c1-14(2)10-16(13-19-12-15(3)4)11-17-8-6-7-9-18(17)20-5/h6-9,14-16,19H,10-13H2,1-5H3
InChIKeyXBDNOAVVIFRNSS-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530358
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene
CID 160728606
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
N-ethyl-2-[(2-methoxyphenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456762
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959
N-(2-methoxyethyl)-2-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 62717677

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine (CID 63498326) is 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine is COc1ccccc1CC(CNCC(C)C)CC(C)C.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is XBDNOAVVIFRNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(2)10-16(13-19-12-15(3)4)11-17-8-6-7-9-18(17)20-5/h6-9,14-16,19H,10-13H2,1-5H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63498326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).