2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine

C19H31NO — CID 115842866

IUPAC2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCCO1
InChIInChI=1S/C19H31NO/c1-5-20-17(18-8-6-7-13-21-18)14-15-9-11-16(12-10-15)19(2,3)4/h9-12,17-18,20H,5-8,13-14H2,1-4H3
InChIKeyCNIPQMFLHTZSSS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine

2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (PubChem CID 115842866) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
PubChem CID115842866
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCCO1
InChIInChI=1S/C19H31NO/c1-5-20-17(18-8-6-7-13-21-18)14-15-9-11-16(12-10-15)19(2,3)4/h9-12,17-18,20H,5-8,13-14H2,1-4H3
InChIKeyCNIPQMFLHTZSSS-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
2-(5-bromothiophen-2-yl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328636

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (CID 115842866) is 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is CCNC(Cc1ccc(C(C)(C)C)cc1)C1CCCCO1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The InChIKey is CNIPQMFLHTZSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-17(18-8-6-7-13-21-18)14-15-9-11-16(12-10-15)19(2,3)4/h9-12,17-18,20H,5-8,13-14H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 115842866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).