3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine

C15H25NO — CID 117097180

IUPAC3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
SMILESCc1cc(C(C)CCN)ccc1OC(C)(C)C
InChIInChI=1S/C15H25NO/c1-11(8-9-16)13-6-7-14(12(2)10-13)17-15(3,4)5/h6-7,10-11H,8-9,16H2,1-5H3
InChIKeyJGFSQJHAVHPFHI-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds4

About 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine

3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine (PubChem CID 117097180) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
PubChem CID117097180
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
SMILESCc1cc(C(C)CCN)ccc1OC(C)(C)C
InChIInChI=1S/C15H25NO/c1-11(8-9-16)13-6-7-14(12(2)10-13)17-15(3,4)5/h6-7,10-11H,8-9,16H2,1-5H3
InChIKeyJGFSQJHAVHPFHI-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3-ethyl-4-methylphenyl)butan-1-amine
CID 117282743
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
4-(4-aminobutan-2-yl)-2-methoxy-6-methylphenol
CID 117299254
2-[4-(1-hydroxyethyl)-2-methylphenoxy]-2-methylpropan-1-ol
CID 167230940
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
The IUPAC name of 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine (CID 117097180) is 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
The canonical SMILES for 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine is Cc1cc(C(C)CCN)ccc1OC(C)(C)C.
What is the InChIKey of 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
The InChIKey is JGFSQJHAVHPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(8-9-16)13-6-7-14(12(2)10-13)17-15(3,4)5/h6-7,10-11H,8-9,16H2,1-5H3.
What are the key properties of 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine?
3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine is sourced from PubChem (CID 117097180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).