[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine

C14H23NO — CID 114479420

IUPAC[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1COC(C)C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)12(4)16-9-14-6-5-13(8-15)7-11(14)3/h5-7,10,12H,8-9,15H2,1-4H3
InChIKeyYAQFWLIPKTUXKM-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds5

About [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine

[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine (PubChem CID 114479420) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
PubChem CID114479420
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1COC(C)C(C)C
InChIInChI=1S/C14H23NO/c1-10(2)12(4)16-9-14-6-5-13(8-15)7-11(14)3/h5-7,10,12H,8-9,15H2,1-4H3
InChIKeyYAQFWLIPKTUXKM-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
CID 102721796
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
3-methyl-4-(propan-2-yloxymethyl)aniline
CID 117219815
[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
CID 106200256
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174176
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 107114173
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine (CID 114479420) is [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine is Cc1cc(CN)ccc1COC(C)C(C)C.
What is the InChIKey of [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is YAQFWLIPKTUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)12(4)16-9-14-6-5-13(8-15)7-11(14)3/h5-7,10,12H,8-9,15H2,1-4H3.
What are the key properties of [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 114479420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).