1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine

C22H29NO — CID 15643774

IUPAC1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine
SMILESCC1Cc2cccc(CN(C)Cc3ccc(C(C)(C)C)cc3)c2O1
InChIInChI=1S/C22H29NO/c1-16-13-18-7-6-8-19(21(18)24-16)15-23(5)14-17-9-11-20(12-10-17)22(2,3)4/h6-12,16H,13-15H2,1-5H3
InChIKeyKHDDCMFSUFYKMI-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.94
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine

1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine (PubChem CID 15643774) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine
PubChem CID15643774
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine
SMILESCC1Cc2cccc(CN(C)Cc3ccc(C(C)(C)C)cc3)c2O1
InChIInChI=1S/C22H29NO/c1-16-13-18-7-6-8-19(21(18)24-16)15-23(5)14-17-9-11-20(12-10-17)22(2,3)4/h6-12,16H,13-15H2,1-5H3
InChIKeyKHDDCMFSUFYKMI-UHFFFAOYSA-N
XLogP4.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine with MolForge

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Related Compounds

N-methoxy-1-(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 82605146
1-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclopropan-1-ol
CID 117292711
N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 99821650
2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 151016098
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
N-(1-benzothiophen-2-ylmethyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 139618212
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
2-chloro-7-[(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 173089042
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43509157

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine (CID 15643774) is 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine is CC1Cc2cccc(CN(C)Cc3ccc(C(C)(C)C)cc3)c2O1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine?
The InChIKey is KHDDCMFSUFYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-16-13-18-7-6-8-19(21(18)24-16)15-23(5)14-17-9-11-20(12-10-17)22(2,3)4/h6-12,16H,13-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine?
1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine has a molecular weight of 323.48 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]methanamine is sourced from PubChem (CID 15643774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).