1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol

C15H18ClNO2 — CID 55099549

IUPAC1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Cl)Cc1ccco1
InChIInChI=1S/C15H18ClNO2/c1-17(11-12-5-4-10-19-12)9-8-15(18)13-6-2-3-7-14(13)16/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyACSSPJQJBUSHAA-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.49
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol

1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol (PubChem CID 55099549) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
PubChem CID55099549
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Cl)Cc1ccco1
InChIInChI=1S/C15H18ClNO2/c1-17(11-12-5-4-10-19-12)9-8-15(18)13-6-2-3-7-14(13)16/h2-7,10,15,18H,8-9,11H2,1H3
InChIKeyACSSPJQJBUSHAA-UHFFFAOYSA-N
XLogP3.49
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(2-methylphenyl)propan-1-ol
CID 62625066
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62630263
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol (CID 55099549) is 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol is CN(CCC(O)c1ccccc1Cl)Cc1ccco1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol?
The InChIKey is ACSSPJQJBUSHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-17(11-12-5-4-10-19-12)9-8-15(18)13-6-2-3-7-14(13)16/h2-7,10,15,18H,8-9,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol?
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol has a molecular weight of 279.77 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 55099549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).