3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol

C17H23NO2 — CID 62625066

IUPAC3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccccc2C)o1
InChIInChI=1S/C17H23NO2/c1-13-6-4-5-7-16(13)17(19)10-11-18(3)12-15-9-8-14(2)20-15/h4-9,17,19H,10-12H2,1-3H3
InChIKeyTXJXMXHEJNMZSW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.45
Rot. Bonds6

About 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol

3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 62625066) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID62625066
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccc(CN(C)CCC(O)c2ccccc2C)o1
InChIInChI=1S/C17H23NO2/c1-13-6-4-5-7-16(13)17(19)10-11-18(3)12-15-9-8-14(2)20-15/h4-9,17,19H,10-12H2,1-3H3
InChIKeyTXJXMXHEJNMZSW-UHFFFAOYSA-N
XLogP3.45
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
(2S)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(R)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 7872448
3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
3-[methyl(oxan-2-ylmethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624909
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
CID 82854049
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60501602
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol (CID 62625066) is 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol is Cc1ccc(CN(C)CCC(O)c2ccccc2C)o1.
What is the InChIKey of 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is TXJXMXHEJNMZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-6-4-5-7-16(13)17(19)10-11-18(3)12-15-9-8-14(2)20-15/h4-9,17,19H,10-12H2,1-3H3.
What are the key properties of 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol?
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62625066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).