3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine

C17H29NO — CID 55155806

IUPAC3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
SMILESCC(C)Oc1ccc(C(C)NCCC(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)19-16-9-7-15(8-10-16)14(3)18-12-11-17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyKHHHLMCHOFKZAA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds6

About 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine

3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine (PubChem CID 55155806) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
PubChem CID55155806
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
SMILESCC(C)Oc1ccc(C(C)NCCC(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)19-16-9-7-15(8-10-16)14(3)18-12-11-17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyKHHHLMCHOFKZAA-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 81343833
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
4,4-dimethyl-1-[1-(4-propan-2-yloxyphenyl)ethylamino]pentan-2-ol
CID 103784440
1,1-dimethyl-3-[2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]urea
CID 83112295
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 107094233
1-(4-propan-2-yloxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204819
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine (CID 55155806) is 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine is CC(C)Oc1ccc(C(C)NCCC(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
The InChIKey is KHHHLMCHOFKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)19-16-9-7-15(8-10-16)14(3)18-12-11-17(4,5)6/h7-10,13-14,18H,11-12H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 55155806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).