N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine

C13H19NO — CID 43196113

IUPACN-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1ccc(CNCC2CCOC2)cc1
InChIInChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-15-10-13/h2-5,13-14H,6-10H2,1H3
InChIKeyIIHWHEZISXCDOH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.12
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 43196113) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID43196113
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1ccc(CNCC2CCOC2)cc1
InChIInChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-15-10-13/h2-5,13-14H,6-10H2,1H3
InChIKeyIIHWHEZISXCDOH-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(oxolan-3-ylmethylamino)methyl]phenyl]propanoic acid
CID 103242573
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
2-[4-[(oxolan-3-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54931993
1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 62351928
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
2-bromo-5-[(oxolan-3-ylmethylamino)methyl]aniline
CID 107814501
1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
CID 97034738

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine (CID 43196113) is N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine is Cc1ccc(CNCC2CCOC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is IIHWHEZISXCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-2-4-12(5-3-11)8-14-9-13-6-7-15-10-13/h2-5,13-14H,6-10H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 43196113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).