1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol

C15H18ClNO2 — CID 62907848

IUPAC1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
SMILESCc1ccc(CN(C)c2ccc(C(C)O)cc2Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-10-4-6-13(19-10)9-17(3)15-7-5-12(11(2)18)8-14(15)16/h4-8,11,18H,9H2,1-3H3
InChIKeyYHTRDXBBDUWPEI-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.93
Rot. Bonds4

About 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol

1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol (PubChem CID 62907848) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
PubChem CID62907848
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
SMILESCc1ccc(CN(C)c2ccc(C(C)O)cc2Cl)o1
InChIInChI=1S/C15H18ClNO2/c1-10-4-6-13(19-10)9-17(3)15-7-5-12(11(2)18)8-14(15)16/h4-8,11,18H,9H2,1-3H3
InChIKeyYHTRDXBBDUWPEI-UHFFFAOYSA-N
XLogP3.93
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81165610
1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 62909049
(1R)-1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 63371054
4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81159206
(1S)-1-[3-chloro-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939961
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
(1R)-1-[4-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chlorophenyl]ethanol
CID 63371224
(1S)-1-[3-chloro-4-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 55184861
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
4-[[2-chloro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985516
(1S)-1-[3-chloro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63370881
4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 78936162

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol (CID 62907848) is 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol is Cc1ccc(CN(C)c2ccc(C(C)O)cc2Cl)o1.
What is the InChIKey of 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol?
The InChIKey is YHTRDXBBDUWPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10-4-6-13(19-10)9-17(3)15-7-5-12(11(2)18)8-14(15)16/h4-8,11,18H,9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol?
1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol has a molecular weight of 279.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 62907848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).