(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol

C14H19N3O — CID 63371947

IUPAC(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C14H19N3O/c1-11(18)12-6-4-5-7-13(12)17(3)10-14-15-8-9-16(14)2/h4-9,11,18H,10H2,1-3H3/t11-/m0/s1
InChIKeyLVQMIGHQZGUJIF-NSHDSACASA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds4

About (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol

(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol (PubChem CID 63371947) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
PubChem CID63371947
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C14H19N3O/c1-11(18)12-6-4-5-7-13(12)17(3)10-14-15-8-9-16(14)2/h4-9,11,18H,10H2,1-3H3/t11-/m0/s1
InChIKeyLVQMIGHQZGUJIF-NSHDSACASA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63795220
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
2-(difluoromethyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63735656
1-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol
CID 87710047
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarbothioamide
CID 79519844
(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938734
2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 155954257
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol (CID 63371947) is (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol is C[C@H](O)c1ccccc1N(C)Cc1nccn1C.
What is the InChIKey of (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
The InChIKey is LVQMIGHQZGUJIF-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(18)12-6-4-5-7-13(12)17(3)10-14-15-8-9-16(14)2/h4-9,11,18H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol?
(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 63371947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).