N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride

C22H30ClNO2 — CID 67795307

IUPACN,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride
SMILESCc1c(C)c2c(c(C)c1OCc1ccccc1)C[C@@H](CCN(C)C)O2.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-15-16(2)22-20(13-19(25-22)11-12-23(4)5)17(3)21(15)24-14-18-9-7-6-8-10-18;/h6-10,19H,11-14H2,1-5H3;1H/t19-;/m1./s1
InChIKeyNQVNXLRVFJJOCP-FSRHSHDFSA-N
MW375.94 g/mol
LogP4.87
Rot. Bonds6

About N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride

N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride (PubChem CID 67795307) has the molecular formula C22H30ClNO2 and a molecular weight of 375.94 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride
PubChem CID67795307
Molecular FormulaC22H30ClNO2
Molecular Weight375.94 g/mol
Exact Mass375.20
IUPAC NameN,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride
SMILESCc1c(C)c2c(c(C)c1OCc1ccccc1)C[C@@H](CCN(C)C)O2.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-15-16(2)22-20(13-19(25-22)11-12-23(4)5)17(3)21(15)24-14-18-9-7-6-8-10-18;/h6-10,19H,11-14H2,1-5H3;1H/t19-;/m1./s1
InChIKeyNQVNXLRVFJJOCP-FSRHSHDFSA-N
XLogP4.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride (CID 67795307) is N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride is Cc1c(C)c2c(c(C)c1OCc1ccccc1)C[C@@H](CCN(C)C)O2.Cl.
What is the InChIKey of N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride?
The InChIKey is NQVNXLRVFJJOCP-FSRHSHDFSA-N. The full InChI is InChI=1S/C22H29NO2.ClH/c1-15-16(2)22-20(13-19(25-22)11-12-23(4)5)17(3)21(15)24-14-18-9-7-6-8-10-18;/h6-10,19H,11-14H2,1-5H3;1H/t19-;/m1./s1.
What are the key properties of N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride?
N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-4,6,7-trimethyl-5-phenylmethoxy-2,3-dihydro-1-benzofuran-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 67795307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).