N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine

C13H19NO — CID 3144564

IUPACN-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccccc1CNCC1CCCO1
InChIInChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-15-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNOSBDNDRXZHFJN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 3144564) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID3144564
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccccc1CNCC1CCCO1
InChIInChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-15-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNOSBDNDRXZHFJN-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 3144564) is N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine is Cc1ccccc1CNCC1CCCO1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is NOSBDNDRXZHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)9-14-10-13-7-4-8-15-13/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3144564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).