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

C12H17NO — CID 61271786

IUPAC(4-methylphenyl)-(oxolan-3-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC2)cc1
InChIInChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h2-5,11-12H,6-8,13H2,1H3
InChIKeyLJXLEOSDIVAVKZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.03
Rot. Bonds2

About (4-methylphenyl)-(oxolan-3-yl)methanamine

(4-methylphenyl)-(oxolan-3-yl)methanamine (PubChem CID 61271786) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4-methylphenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(oxolan-3-yl)methanamine
PubChem CID61271786
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4-methylphenyl)-(oxolan-3-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC2)cc1
InChIInChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h2-5,11-12H,6-8,13H2,1H3
InChIKeyLJXLEOSDIVAVKZ-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

(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
(4-ethylsulfanylphenyl)-(oxolan-3-yl)methanamine
CID 106848650
(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
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
[3-(4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114717533
(3-chloro-4-methoxyphenyl)-(oxolan-3-yl)methanamine
CID 61270663
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (4-methylphenyl)-(oxolan-3-yl)methanamine (CID 61271786) is (4-methylphenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (4-methylphenyl)-(oxolan-3-yl)methanamine is Cc1ccc(C(N)C2CCOC2)cc1.
What is the InChIKey of (4-methylphenyl)-(oxolan-3-yl)methanamine?
The InChIKey is LJXLEOSDIVAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)12(13)11-6-7-14-8-11/h2-5,11-12H,6-8,13H2,1H3.
What are the key properties of (4-methylphenyl)-(oxolan-3-yl)methanamine?
(4-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 (4-methylphenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61271786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).