1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol

C15H23NO3 — CID 60881124

IUPAC1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cc(CNC2CC2)ccc1OCC(C)(C)O
InChIInChI=1S/C15H23NO3/c1-15(2,17)10-19-13-7-4-11(8-14(13)18-3)9-16-12-5-6-12/h4,7-8,12,16-17H,5-6,9-10H2,1-3H3
InChIKeyFWCTYWQOMCTZQV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.10
Rot. Bonds7

About 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol

1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol (PubChem CID 60881124) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
PubChem CID60881124
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCOc1cc(CNC2CC2)ccc1OCC(C)(C)O
InChIInChI=1S/C15H23NO3/c1-15(2,17)10-19-13-7-4-11(8-14(13)18-3)9-16-12-5-6-12/h4,7-8,12,16-17H,5-6,9-10H2,1-3H3
InChIKeyFWCTYWQOMCTZQV-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
1-[4-[(cyclopropylamino)methyl]-2-nitrophenoxy]-2-methylpropan-2-ol
CID 60882004
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63057656
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol (CID 60881124) is 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol is COc1cc(CNC2CC2)ccc1OCC(C)(C)O.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
The InChIKey is FWCTYWQOMCTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,17)10-19-13-7-4-11(8-14(13)18-3)9-16-12-5-6-12/h4,7-8,12,16-17H,5-6,9-10H2,1-3H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol?
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 60881124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).