1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C18H29NO — CID 82834989

IUPAC1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C18H29NO/c1-13-6-11-17(20-13)12-19-14(2)15-7-9-16(10-8-15)18(3,4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyRYPSNELVWBBTJY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82834989) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82834989
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNC(C)c2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C18H29NO/c1-13-6-11-17(20-13)12-19-14(2)15-7-9-16(10-8-15)18(3,4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3
InChIKeyRYPSNELVWBBTJY-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836687
4-[1-[(5-methyloxolan-2-yl)methylamino]ethyl]benzonitrile
CID 82833990
1-(3,4-dichlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834051
1-(1,3-benzodioxol-5-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833988
1-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637049
(1S)-1-(furan-2-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836690
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
N-[(5-methyloxolan-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 82835445
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
1-(4-chlorophenyl)-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 82834259
N-ethyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103132895
3,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 82836542

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82834989) is 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CNC(C)c2ccc(C(C)(C)C)cc2)O1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is RYPSNELVWBBTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-6-11-17(20-13)12-19-14(2)15-7-9-16(10-8-15)18(3,4)5/h7-10,13-14,17,19H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.20, 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-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82834989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).