1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

C17H27NO — CID 43674130

IUPAC1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(18-11-14-9-10-19-12-14)15-5-7-16(8-6-15)17(2,3)4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyHWTKZECIHIWKPX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43674130) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43674130
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(18-11-14-9-10-19-12-14)15-5-7-16(8-6-15)17(2,3)4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyHWTKZECIHIWKPX-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
1-(4-methylsulfonylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931797
1-(3-chloro-4-fluorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54931991
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43674130) is 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is HWTKZECIHIWKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(18-11-14-9-10-19-12-14)15-5-7-16(8-6-15)17(2,3)4/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43674130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).