(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol

C16H21NO2 — CID 97159613

IUPAC(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCc1ccc(CN(C)[C@H](CCO)c2ccccc2)o1
InChIInChI=1S/C16H21NO2/c1-13-8-9-15(19-13)12-17(2)16(10-11-18)14-6-4-3-5-7-14/h3-9,16,18H,10-12H2,1-2H3/t16-/m1/s1
InChIKeyGMSHORGBRBPJFL-MRXNPFEDSA-N
MW259.35 g/mol
LogP3.14
Rot. Bonds6

About (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol

(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol (PubChem CID 97159613) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
PubChem CID97159613
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCc1ccc(CN(C)[C@H](CCO)c2ccccc2)o1
InChIInChI=1S/C16H21NO2/c1-13-8-9-15(19-13)12-17(2)16(10-11-18)14-6-4-3-5-7-14/h3-9,16,18H,10-12H2,1-2H3/t16-/m1/s1
InChIKeyGMSHORGBRBPJFL-MRXNPFEDSA-N
XLogP3.14
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
CID 63573476
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519445
(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111496963
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489124
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60501602
4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
CID 61262031

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol (CID 97159613) is (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol is Cc1ccc(CN(C)[C@H](CCO)c2ccccc2)o1.
What is the InChIKey of (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The InChIKey is GMSHORGBRBPJFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13-8-9-15(19-13)12-17(2)16(10-11-18)14-6-4-3-5-7-14/h3-9,16,18H,10-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol?
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 97159613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).