[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol

C17H26N2O2 — CID 102933693

IUPAC[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1cc(CNC2CC2)ccc1N1CC(C)OC(CO)C1
InChIInChI=1S/C17H26N2O2/c1-12-7-14(8-18-15-4-5-15)3-6-17(12)19-9-13(2)21-16(10-19)11-20/h3,6-7,13,15-16,18,20H,4-5,8-11H2,1-2H3
InChIKeyASSOHHGXTVZBPC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds5

About [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol

[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102933693) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102933693
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
SMILESCc1cc(CNC2CC2)ccc1N1CC(C)OC(CO)C1
InChIInChI=1S/C17H26N2O2/c1-12-7-14(8-18-15-4-5-15)3-6-17(12)19-9-13(2)21-16(10-19)11-20/h3,6-7,13,15-16,18,20H,4-5,8-11H2,1-2H3
InChIKeyASSOHHGXTVZBPC-UHFFFAOYSA-N
XLogP1.83
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
N-[[4-(4,4-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62932457
1-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165022
N-[[3-(2,6-dimethylmorpholin-4-yl)-4-fluorophenyl]methyl]cyclopentanamine
CID 84753547
N-[[4-(3-methoxypyrrolidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 103535835
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
N-[[3-methyl-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 63634476
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
CID 104961314
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-methylphenyl]methyl]cyclopropanamine
CID 62125029
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol (CID 102933693) is [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol is Cc1cc(CNC2CC2)ccc1N1CC(C)OC(CO)C1.
What is the InChIKey of [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is ASSOHHGXTVZBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-14(8-18-15-4-5-15)3-6-17(12)19-9-13(2)21-16(10-19)11-20/h3,6-7,13,15-16,18,20H,4-5,8-11H2,1-2H3.
What are the key properties of [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol?
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 290.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102933693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).