(3-methylphenyl)-(oxolan-3-yl)methanamine

C12H17NO — CID 63564750

IUPAC(3-methylphenyl)-(oxolan-3-yl)methanamine
SMILESCc1cccc(C(N)C2CCOC2)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-8-11/h2-4,7,11-12H,5-6,8,13H2,1H3
InChIKeyMYOZQKGCHINRAQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.03
Rot. Bonds2

About (3-methylphenyl)-(oxolan-3-yl)methanamine

(3-methylphenyl)-(oxolan-3-yl)methanamine (PubChem CID 63564750) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3-methylphenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(oxolan-3-yl)methanamine
PubChem CID63564750
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3-methylphenyl)-(oxolan-3-yl)methanamine
SMILESCc1cccc(C(N)C2CCOC2)c1
InChIInChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-8-11/h2-4,7,11-12H,5-6,8,13H2,1H3
InChIKeyMYOZQKGCHINRAQ-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
CID 131503127
(S)-(3-fluorophenyl)-(oxan-4-yl)methanamine
CID 95255362

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(oxolan-3-yl)methanamine (CID 63564750) is (3-methylphenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(oxolan-3-yl)methanamine is Cc1cccc(C(N)C2CCOC2)c1.
What is the InChIKey of (3-methylphenyl)-(oxolan-3-yl)methanamine?
The InChIKey is MYOZQKGCHINRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-2-4-10(7-9)12(13)11-5-6-14-8-11/h2-4,7,11-12H,5-6,8,13H2,1H3.
What are the key properties of (3-methylphenyl)-(oxolan-3-yl)methanamine?
(3-methylphenyl)-(oxolan-3-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 63564750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).