2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine

C18H29NO2 — CID 65166606

IUPAC2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCNCC(CCCC1CCCO1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-19-14-16(5-3-6-18-7-4-12-21-18)13-15-8-10-17(20-2)11-9-15/h8-11,16,18-19H,3-7,12-14H2,1-2H3
InChIKeyPMYRSBZKKCSDSC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.42
Rot. Bonds9

About 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine

2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 65166606) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
PubChem CID65166606
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
SMILESCNCC(CCCC1CCCO1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-19-14-16(5-3-6-18-7-4-12-21-18)13-15-8-10-17(20-2)11-9-15/h8-11,16,18-19H,3-7,12-14H2,1-2H3
InChIKeyPMYRSBZKKCSDSC-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
2-[2-(bromomethyl)-3-(4-methoxyphenyl)propyl]oxolane
CID 66043103
2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
CID 66058016
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
CID 66042483
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
1-(4-methoxyphenyl)-2-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65167305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine (CID 65166606) is 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine is CNCC(CCCC1CCCO1)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is PMYRSBZKKCSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-19-14-16(5-3-6-18-7-4-12-21-18)13-15-8-10-17(20-2)11-9-15/h8-11,16,18-19H,3-7,12-14H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine?
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 65166606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).