(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine

C28H43NO — CID 143950943

IUPAC(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine
SMILESCCCC(N)CC.CCc1ccc(OC2c3ccccc3C[C@H]2C)c(C(C)(C)C)c1
InChIInChI=1S/C22H28O.C6H15N/c1-6-16-11-12-20(19(14-16)22(3,4)5)23-21-15(2)13-17-9-7-8-10-18(17)21;1-3-5-6(7)4-2/h7-12,14-15,21H,6,13H2,1-5H3;6H,3-5,7H2,1-2H3/t15-,21?;/m1./s1
InChIKeyGZLHLJARDOJMQQ-NBDGTZBISA-N
MW409.66 g/mol
LogP7.38
Rot. Bonds6

About (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine

(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine (PubChem CID 143950943) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine.

Molecular Properties

Compound Name(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine
PubChem CID143950943
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC Name(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine
SMILESCCCC(N)CC.CCc1ccc(OC2c3ccccc3C[C@H]2C)c(C(C)(C)C)c1
InChIInChI=1S/C22H28O.C6H15N/c1-6-16-11-12-20(19(14-16)22(3,4)5)23-21-15(2)13-17-9-7-8-10-18(17)21;1-3-5-6(7)4-2/h7-12,14-15,21H,6,13H2,1-5H3;6H,3-5,7H2,1-2H3/t15-,21?;/m1./s1
InChIKeyGZLHLJARDOJMQQ-NBDGTZBISA-N
XLogP7.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(1R,2R)-1-(2-tert-butyl-4-ethylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-yl]methanamine
CID 58393572
N-ethenyl-3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]aniline;heptan-3-amine
CID 143950852
6-(3-tert-butyl-4-ethoxyphenyl)hexan-3-amine
CID 83934351
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
3,4-diethylpyrrolidine;(2R)-1-(4-fluoro-2-methylphenoxy)-2-methyl-2,3-dihydro-1H-indene
CID 143951013
3-(2-tert-butyl-4-ethylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674215
ethane;ethylbenzene;hexan-3-amine
CID 143182014
(2-tert-butyl-4-ethylphenyl) benzoate
CID 146420995
1-(3-tert-butyl-4-ethoxyphenyl)butan-2-amine
CID 170889673
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
ethane;(1R)-1-[4-fluoro-2-[(3Z)-penta-1,3-dien-2-yl]phenoxy]-2-methyl-1,2,3,4-tetrahydronaphthalene;heptan-3-amine
CID 143950504
1-(3-bromo-2-methoxycyclobutyl)oxy-2-tert-butyl-4-ethylbenzene
CID 104673759

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine?
The IUPAC name of (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine (CID 143950943) is (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine.
What is the SMILES notation for (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine?
The canonical SMILES for (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine is CCCC(N)CC.CCc1ccc(OC2c3ccccc3C[C@H]2C)c(C(C)(C)C)c1.
What is the InChIKey of (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine?
The InChIKey is GZLHLJARDOJMQQ-NBDGTZBISA-N. The full InChI is InChI=1S/C22H28O.C6H15N/c1-6-16-11-12-20(19(14-16)22(3,4)5)23-21-15(2)13-17-9-7-8-10-18(17)21;1-3-5-6(7)4-2/h7-12,14-15,21H,6,13H2,1-5H3;6H,3-5,7H2,1-2H3/t15-,21?;/m1./s1.
What are the key properties of (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine?
(2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine has a molecular weight of 409.66 g/mol, XLogP of 7.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2,3-dihydro-1H-indene;hexan-3-amine is sourced from PubChem (CID 143950943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).