2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

C17H29NO — CID 63496809

IUPAC2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCc1cc(C)cc(OC(CNCC(C)C)C(C)C)c1
InChIInChI=1S/C17H29NO/c1-12(2)10-18-11-17(13(3)4)19-16-8-14(5)7-15(6)9-16/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyIOGACDQVMWHSAE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.95
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63496809) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63496809
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCc1cc(C)cc(OC(CNCC(C)C)C(C)C)c1
InChIInChI=1S/C17H29NO/c1-12(2)10-18-11-17(13(3)4)19-16-8-14(5)7-15(6)9-16/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyIOGACDQVMWHSAE-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
2-(4-bromo-3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 107726433
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496494
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
N-[2-(3,5-dimethylphenoxy)propyl]-3-methylbutan-1-amine
CID 62571370
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
2-(3,5-dimethylphenoxy)propylhydrazine
CID 82281841
2-(4-bromo-2-propan-2-ylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 115402763
N-[2-(4-chloro-3,5-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496116

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 63496809) is 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is Cc1cc(C)cc(OC(CNCC(C)C)C(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is IOGACDQVMWHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12(2)10-18-11-17(13(3)4)19-16-8-14(5)7-15(6)9-16/h7-9,12-13,17-18H,10-11H2,1-6H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63496809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).