N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

C19H29NO — CID 81041063

IUPACN-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCc1cc(C(C)(C)C)c2occ(CCNC(C)(C)C)c2c1
InChIInChI=1S/C19H29NO/c1-13-10-15-14(8-9-20-19(5,6)7)12-21-17(15)16(11-13)18(2,3)4/h10-12,20H,8-9H2,1-7H3
InChIKeyVHIHNIZJXZJJKN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.97
Rot. Bonds3

About N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 81041063) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID81041063
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCc1cc(C(C)(C)C)c2occ(CCNC(C)(C)C)c2c1
InChIInChI=1S/C19H29NO/c1-13-10-15-14(8-9-20-19(5,6)7)12-21-17(15)16(11-13)18(2,3)4/h10-12,20H,8-9H2,1-7H3
InChIKeyVHIHNIZJXZJJKN-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-tert-butyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81049411
N-[2-(6,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81048770
2-(7-chloro-5-methyl-1-benzofuran-3-yl)-N-methylethanamine
CID 81049955
N-[2-(4,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81048233
N-[2-(7-butan-2-yl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81049926
2-(5,7-ditert-butyl-1-benzofuran-3-yl)acetate
CID 9158958
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
N-[(5-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methylpropan-2-amine
CID 114267971
N-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82497754
1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 63398518
2-(7-bromo-5-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049412
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine (CID 81041063) is N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is Cc1cc(C(C)(C)C)c2occ(CCNC(C)(C)C)c2c1.
What is the InChIKey of N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is VHIHNIZJXZJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13-10-15-14(8-9-20-19(5,6)7)12-21-17(15)16(11-13)18(2,3)4/h10-12,20H,8-9H2,1-7H3.
What are the key properties of N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-tert-butyl-5-methyl-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).