(S)-(4-methylphenyl)-(oxan-4-yl)methanamine

C13H19NO — CID 94891785

IUPAC(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
SMILESCc1ccc([C@@H](N)C2CCOCC2)cc1
InChIInChI=1S/C13H19NO/c1-10-2-4-11(5-3-10)13(14)12-6-8-15-9-7-12/h2-5,12-13H,6-9,14H2,1H3/t13-/m1/s1
InChIKeyNTRPNEVWCGUGGN-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds2

About (S)-(4-methylphenyl)-(oxan-4-yl)methanamine

(S)-(4-methylphenyl)-(oxan-4-yl)methanamine (PubChem CID 94891785) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (S)-(4-methylphenyl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
PubChem CID94891785
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
SMILESCc1ccc([C@@H](N)C2CCOCC2)cc1
InChIInChI=1S/C13H19NO/c1-10-2-4-11(5-3-10)13(14)12-6-8-15-9-7-12/h2-5,12-13H,6-9,14H2,1H3/t13-/m1/s1
InChIKeyNTRPNEVWCGUGGN-CYBMUJFWSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
4-[amino-(4-methylphenyl)methyl]cyclohexan-1-ol
CID 116941804
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
oxan-4-yl-(4-phenoxyphenyl)methanamine
CID 62906011

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methylphenyl)-(oxan-4-yl)methanamine?
The IUPAC name of (S)-(4-methylphenyl)-(oxan-4-yl)methanamine (CID 94891785) is (S)-(4-methylphenyl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (S)-(4-methylphenyl)-(oxan-4-yl)methanamine?
The canonical SMILES for (S)-(4-methylphenyl)-(oxan-4-yl)methanamine is Cc1ccc([C@@H](N)C2CCOCC2)cc1.
What is the InChIKey of (S)-(4-methylphenyl)-(oxan-4-yl)methanamine?
The InChIKey is NTRPNEVWCGUGGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-2-4-11(5-3-10)13(14)12-6-8-15-9-7-12/h2-5,12-13H,6-9,14H2,1H3/t13-/m1/s1.
What are the key properties of (S)-(4-methylphenyl)-(oxan-4-yl)methanamine?
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methylphenyl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 94891785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).