6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine

C18H31NO — CID 83934351

IUPAC6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
SMILESCCOc1ccc(CCCC(N)CC)cc1C(C)(C)C
InChIInChI=1S/C18H31NO/c1-6-15(19)10-8-9-14-11-12-17(20-7-2)16(13-14)18(3,4)5/h11-13,15H,6-10,19H2,1-5H3
InChIKeyZWIVUETZEWAIKF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.44
Rot. Bonds7

About 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine

6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine (PubChem CID 83934351) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
PubChem CID83934351
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
SMILESCCOc1ccc(CCCC(N)CC)cc1C(C)(C)C
InChIInChI=1S/C18H31NO/c1-6-15(19)10-8-9-14-11-12-17(20-7-2)16(13-14)18(3,4)5/h11-13,15H,6-10,19H2,1-5H3
InChIKeyZWIVUETZEWAIKF-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
4-(3-tert-butyl-4-ethoxyphenyl)butanenitrile
CID 83934358
4-amino-1-(3-tert-butyl-4-ethoxyphenyl)pentan-3-ol
CID 83934397
1-(4-ethoxy-3-fluorophenyl)pentan-3-amine
CID 112513194
6-(4-methoxy-3-propan-2-ylphenyl)hexan-3-amine
CID 83926840
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
1-(3-bromo-4-ethoxyphenyl)heptan-4-amine
CID 83926181
1-[4-ethoxy-3-(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170890489
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
2-tert-butyl-4-(3-chloropropyl)-1-propoxybenzene
CID 83934424
6-(4-ethoxy-2,3-dimethylphenyl)hexan-3-amine
CID 83939848
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83934434

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine?
The IUPAC name of 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine (CID 83934351) is 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine.
What is the SMILES notation for 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine?
The canonical SMILES for 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine is CCOc1ccc(CCCC(N)CC)cc1C(C)(C)C.
What is the InChIKey of 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine?
The InChIKey is ZWIVUETZEWAIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-15(19)10-8-9-14-11-12-17(20-7-2)16(13-14)18(3,4)5/h11-13,15H,6-10,19H2,1-5H3.
What are the key properties of 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine?
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine has a molecular weight of 277.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine is sourced from PubChem (CID 83934351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).