[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol

C18H21NO2 — CID 105407183

IUPAC[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
SMILESCc1ccc(CNC2CC2)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C18H21NO2/c1-13-2-3-15(11-19-16-6-7-16)10-18(13)21-17-8-4-14(12-20)5-9-17/h2-5,8-10,16,19-20H,6-7,11-12H2,1H3
InChIKeyCEYYZRFGCNFBPX-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.53
Rot. Bonds6

About [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol

[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol (PubChem CID 105407183) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
PubChem CID105407183
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol
SMILESCc1ccc(CNC2CC2)cc1Oc1ccc(CO)cc1
InChIInChI=1S/C18H21NO2/c1-13-2-3-15(11-19-16-6-7-16)10-18(13)21-17-8-4-14(12-20)5-9-17/h2-5,8-10,16,19-20H,6-7,11-12H2,1H3
InChIKeyCEYYZRFGCNFBPX-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-3-(4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 105406496
N-[[4-(2,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283027
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[[3-(2-bromophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406447
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[4-methyl-3-[(2-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 105407433
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
[4-[2-methyl-4-(propylaminomethyl)phenoxy]phenyl]methanol
CID 62122969

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol?
The IUPAC name of [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol (CID 105407183) is [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol.
What is the SMILES notation for [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol?
The canonical SMILES for [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol is Cc1ccc(CNC2CC2)cc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol?
The InChIKey is CEYYZRFGCNFBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-2-3-15(11-19-16-6-7-16)10-18(13)21-17-8-4-14(12-20)5-9-17/h2-5,8-10,16,19-20H,6-7,11-12H2,1H3.
What are the key properties of [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol?
[4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol has a molecular weight of 283.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(cyclopropylamino)methyl]-2-methylphenoxy]phenyl]methanol is sourced from PubChem (CID 105407183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).