[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine

C14H21NO — CID 18525387

IUPAC[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
SMILESCc1cc(C)cc(C2(CN)CCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11-7-12(2)9-13(8-11)14(10-15)3-5-16-6-4-14/h7-9H,3-6,10,15H2,1-2H3
InChIKeyGYWKSOUNKYWXHB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.31
Rot. Bonds2

About [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine

[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine (PubChem CID 18525387) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
PubChem CID18525387
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine
SMILESCc1cc(C)cc(C2(CN)CCOCC2)c1
InChIInChI=1S/C14H21NO/c1-11-7-12(2)9-13(8-11)14(10-15)3-5-16-6-4-14/h7-9H,3-6,10,15H2,1-2H3
InChIKeyGYWKSOUNKYWXHB-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,5-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353499
4-(3,5-dimethylphenyl)oxan-4-amine
CID 23090035
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
(4-pyridin-4-yloxan-4-yl)methanamine
CID 80524202
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
CID 117338394
[4-(4-nitrophenyl)oxan-4-yl]methanamine
CID 16641709

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine (CID 18525387) is [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine is Cc1cc(C)cc(C2(CN)CCOCC2)c1.
What is the InChIKey of [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine?
The InChIKey is GYWKSOUNKYWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-12(2)9-13(8-11)14(10-15)3-5-16-6-4-14/h7-9H,3-6,10,15H2,1-2H3.
What are the key properties of [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine?
[4-(3,5-dimethylphenyl)oxan-4-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylphenyl)oxan-4-yl]methanamine is sourced from PubChem (CID 18525387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).