2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine

C22H25NO2 — CID 60501602

IUPAC2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCOC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H25NO2/c1-18-13-14-21(25-18)17-23(2)15-16-24-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,22H,15-17H2,1-2H3
InChIKeyVDIWKFNHFPHUIV-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.83
Rot. Bonds8

About 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine

2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 60501602) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID60501602
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CN(C)CCOC(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H25NO2/c1-18-13-14-21(25-18)17-23(2)15-16-24-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,22H,15-17H2,1-2H3
InChIKeyVDIWKFNHFPHUIV-UHFFFAOYSA-N
XLogP4.83
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 7872448
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpropanethioamide
CID 64535725
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
CID 75501883
2-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethoxy]benzenecarbothioamide
CID 43526313
2-(3-bromophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60646267
2-benzhydryloxy-N-(2-chloroethyl)-N-methylethanamine;2-[2-benzhydryloxyethyl(methyl)amino]ethanol
CID 158709757
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 60501602) is 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CN(C)CCOC(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is VDIWKFNHFPHUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-18-13-14-21(25-18)17-23(2)15-16-24-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,22H,15-17H2,1-2H3.
What are the key properties of 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 60501602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).