2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine

C17H27NO — CID 65166119

IUPAC2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
SMILESCc1cccc(CC(CN)CCCC2CCCO2)c1
InChIInChI=1S/C17H27NO/c1-14-5-2-6-15(11-14)12-16(13-18)7-3-8-17-9-4-10-19-17/h2,5-6,11,16-17H,3-4,7-10,12-13,18H2,1H3
InChIKeyTZPUUZKTKFRSLR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds7

About 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine

2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 65166119) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
PubChem CID65166119
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
SMILESCc1cccc(CC(CN)CCCC2CCCO2)c1
InChIInChI=1S/C17H27NO/c1-14-5-2-6-15(11-14)12-16(13-18)7-3-8-17-9-4-10-19-17/h2,5-6,11,16-17H,3-4,7-10,12-13,18H2,1H3
InChIKeyTZPUUZKTKFRSLR-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65166948
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
N-methyl-1-(3-methylphenoxy)-6-(oxolan-2-yl)hexan-3-amine
CID 105156705

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine (CID 65166119) is 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine is Cc1cccc(CC(CN)CCCC2CCCO2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is TZPUUZKTKFRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-5-2-6-15(11-14)12-16(13-18)7-3-8-17-9-4-10-19-17/h2,5-6,11,16-17H,3-4,7-10,12-13,18H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine?
2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 65166119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).