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

C12H16ClNO — CID 106857610

IUPAC(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-8-2-3-10(11(13)6-8)12(14)9-4-5-15-7-9/h2-3,6,9,12H,4-5,7,14H2,1H3
InChIKeyJHOMRASFBPDFQE-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.68
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine

(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine (PubChem CID 106857610) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
PubChem CID106857610
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
SMILESCc1ccc(C(N)C2CCOC2)c(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-8-2-3-10(11(13)6-8)12(14)9-4-5-15-7-9/h2-3,6,9,12H,4-5,7,14H2,1H3
InChIKeyJHOMRASFBPDFQE-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
[(2-chloro-4-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 106859916
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
(S)-(2-chloro-4-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171241068
(3,4-dichlorophenyl)-(oxolan-3-yl)methanamine
CID 61273204
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
(2,5-dichlorothiophen-3-yl)-(oxolan-3-yl)methanamine
CID 61270857

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine (CID 106857610) is (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine is Cc1ccc(C(N)C2CCOC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine?
The InChIKey is JHOMRASFBPDFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-2-3-10(11(13)6-8)12(14)9-4-5-15-7-9/h2-3,6,9,12H,4-5,7,14H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine?
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 106857610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).