N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine

C16H25NO — CID 62549112

IUPACN-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)CC1CCCO1
InChIInChI=1S/C16H25NO/c1-13-5-7-14(8-6-13)10-15(12-17-2)11-16-4-3-9-18-16/h5-8,15-17H,3-4,9-12H2,1-2H3
InChIKeySNNVMEWOYRNXGF-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine

N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine (PubChem CID 62549112) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
PubChem CID62549112
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
SMILESCNCC(Cc1ccc(C)cc1)CC1CCCO1
InChIInChI=1S/C16H25NO/c1-13-5-7-14(8-6-13)10-15(12-17-2)11-16-4-3-9-18-16/h5-8,15-17H,3-4,9-12H2,1-2H3
InChIKeySNNVMEWOYRNXGF-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550383
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
2-[(4-methoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-ol
CID 66058016
2-[2-(bromomethyl)-3-(4-methoxyphenyl)propyl]oxolane
CID 66043103
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62550727
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
(2R)-2-[(4-methylphenyl)methyl]-3-[3-[(2R)-oxolan-2-yl]propanoylamino]propanoic acid
CID 97324632
2-[(3-fluorophenyl)methyl]-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62550386

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine (CID 62549112) is N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine is CNCC(Cc1ccc(C)cc1)CC1CCCO1.
What is the InChIKey of N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is SNNVMEWOYRNXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-7-14(8-6-13)10-15(12-17-2)11-16-4-3-9-18-16/h5-8,15-17H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine?
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 62549112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).