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

C17H27NO — CID 62718039

IUPAC2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCc1cccc(CC2(CNC(C)(C)C)CCOC2)c1
InChIInChI=1S/C17H27NO/c1-14-6-5-7-15(10-14)11-17(8-9-19-13-17)12-18-16(2,3)4/h5-7,10,18H,8-9,11-13H2,1-4H3
InChIKeyVZFOZLYIMFUUKM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.33
Rot. Bonds4

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

2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62718039) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62718039
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCc1cccc(CC2(CNC(C)(C)C)CCOC2)c1
InChIInChI=1S/C17H27NO/c1-14-6-5-7-15(10-14)11-17(8-9-19-13-17)12-18-16(2,3)4/h5-7,10,18H,8-9,11-13H2,1-4H3
InChIKeyVZFOZLYIMFUUKM-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
N-[[1-[(3,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66023597
N-[[1-[(3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194679
N-[[4-[(2,6-dichlorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62905045
N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104810695
N-[[1-[(3-bromophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63507661
2-methyl-N-[[1-[(4-methylphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62718039) is 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine is Cc1cccc(CC2(CNC(C)(C)C)CCOC2)c1.
What is the InChIKey of 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is VZFOZLYIMFUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-6-5-7-15(10-14)11-17(8-9-19-13-17)12-18-16(2,3)4/h5-7,10,18H,8-9,11-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62718039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).