2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine

C19H31NO — CID 62550383

IUPAC2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1cccc(CC(CNCC(C)C)CC2CCCO2)c1
InChIInChI=1S/C19H31NO/c1-15(2)13-20-14-18(12-19-8-5-9-21-19)11-17-7-4-6-16(3)10-17/h4,6-7,10,15,18-20H,5,8-9,11-14H2,1-3H3
InChIKeyWFBIMVQICXEBOX-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.97
Rot. Bonds8

About 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine

2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 62550383) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID62550383
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1cccc(CC(CNCC(C)C)CC2CCCO2)c1
InChIInChI=1S/C19H31NO/c1-15(2)13-20-14-18(12-19-8-5-9-21-19)11-17-7-4-6-16(3)10-17/h4,6-7,10,15,18-20H,5,8-9,11-14H2,1-3H3
InChIKeyWFBIMVQICXEBOX-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112
N-[2-cyclopropyl-3-(3-methylphenyl)propyl]-2-methylpropan-1-amine
CID 104819290
4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
CID 82925868
2-[(3-methylphenyl)methyl]-5-(oxolan-2-yl)pentan-1-amine
CID 65166119
2-[(3-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62764881
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66048360
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine (CID 62550383) is 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine is Cc1cccc(CC(CNCC(C)C)CC2CCCO2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is WFBIMVQICXEBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)13-20-14-18(12-19-8-5-9-21-19)11-17-7-4-6-16(3)10-17/h4,6-7,10,15,18-20H,5,8-9,11-14H2,1-3H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine?
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 62550383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).