1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol

C17H28N2O2 — CID 43253511

IUPAC1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)COc1cccc(CN)c1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-19(15-7-3-2-4-8-15)12-16(20)13-21-17-9-5-6-14(10-17)11-18/h5-6,9-10,15-16,20H,2-4,7-8,11-13,18H2,1H3
InChIKeyLECLOUDLLZGSNF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.15
Rot. Bonds7

About 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol

1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol (PubChem CID 43253511) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
PubChem CID43253511
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
SMILESCN(CC(O)COc1cccc(CN)c1)C1CCCCC1
InChIInChI=1S/C17H28N2O2/c1-19(15-7-3-2-4-8-15)12-16(20)13-21-17-9-5-6-14(10-17)11-18/h5-6,9-10,15-16,20H,2-4,7-8,11-13,18H2,1H3
InChIKeyLECLOUDLLZGSNF-UHFFFAOYSA-N
XLogP2.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-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

1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211246
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
3-[4-[[3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]propanamide
CID 45239518
(2S)-1-[cyclohexyl(methyl)amino]-3-[3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenoxy]propan-2-ol
CID 26322303
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
(2R)-1-[cyclohexyl(methyl)amino]-3-[3-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 97280507
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-(3-aminophenoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 61443793
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol (CID 43253511) is 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol is CN(CC(O)COc1cccc(CN)c1)C1CCCCC1.
What is the InChIKey of 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol?
The InChIKey is LECLOUDLLZGSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(15-7-3-2-4-8-15)12-16(20)13-21-17-9-5-6-14(10-17)11-18/h5-6,9-10,15-16,20H,2-4,7-8,11-13,18H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol?
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 43253511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).