[4-(oxolan-2-ylmethyl)phenyl]methanamine

C12H17NO — CID 174382096

IUPAC[4-(oxolan-2-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CC2CCCO2)cc1
InChIInChI=1S/C12H17NO/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h3-6,12H,1-2,7-9,13H2
InChIKeyPGSYFLKICVWSHE-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.87
Rot. Bonds3

About [4-(oxolan-2-ylmethyl)phenyl]methanamine

[4-(oxolan-2-ylmethyl)phenyl]methanamine (PubChem CID 174382096) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethyl)phenyl]methanamine
PubChem CID174382096
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[4-(oxolan-2-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(CC2CCCO2)cc1
InChIInChI=1S/C12H17NO/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h3-6,12H,1-2,7-9,13H2
InChIKeyPGSYFLKICVWSHE-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-benzyloxepane
CID 14272917
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
acetamide;acetylene;(2S)-2-benzyloxolane;ethane
CID 144598785
2-[(3,5-dichlorophenyl)methyl]oxolane
CID 173052103
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
[4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]phenyl]methanamine
CID 82228450
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline
CID 43591835

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(oxolan-2-ylmethyl)phenyl]methanamine (CID 174382096) is [4-(oxolan-2-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(oxolan-2-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(oxolan-2-ylmethyl)phenyl]methanamine is NCc1ccc(CC2CCCO2)cc1.
What is the InChIKey of [4-(oxolan-2-ylmethyl)phenyl]methanamine?
The InChIKey is PGSYFLKICVWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h3-6,12H,1-2,7-9,13H2.
What are the key properties of [4-(oxolan-2-ylmethyl)phenyl]methanamine?
[4-(oxolan-2-ylmethyl)phenyl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 174382096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).