N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine

C18H31NO — CID 81015863

IUPACN-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1cccc(C(C)C(C)CNC(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-13(2)20-17-10-8-9-16(11-17)15(4)14(3)12-19-18(5,6)7/h8-11,13-15,19H,12H2,1-7H3
InChIKeyCQXIJLZXCDESFO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.60
Rot. Bonds6

About N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine

N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 81015863) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
PubChem CID81015863
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1cccc(C(C)C(C)CNC(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-13(2)20-17-10-8-9-16(11-17)15(4)14(3)12-19-18(5,6)7/h8-11,13-15,19H,12H2,1-7H3
InChIKeyCQXIJLZXCDESFO-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81012434
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81015905
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-ethoxy-N,2-dimethyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 116726622
N-tert-butyl-3-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-amine
CID 81016189
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
N-tert-butyl-2-methyl-3-quinolin-6-ylbutan-1-amine
CID 81223538
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine (CID 81015863) is N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine is CC(C)Oc1cccc(C(C)C(C)CNC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is CQXIJLZXCDESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)20-17-10-8-9-16(11-17)15(4)14(3)12-19-18(5,6)7/h8-11,13-15,19H,12H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine?
N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 81015863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).