4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol

C22H29NO2 — CID 119128369

IUPAC4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2cccc(OCCCc3ccccc3)c2)CC1
InChIInChI=1S/C22H29NO2/c24-21-13-11-20(12-14-21)23-17-19-8-4-10-22(16-19)25-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20-21,23-24H,5,9,11-15,17H2
InChIKeyDPYZOAVPVIXWOM-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.09
Rot. Bonds8

About 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol

4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 119128369) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
PubChem CID119128369
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2cccc(OCCCc3ccccc3)c2)CC1
InChIInChI=1S/C22H29NO2/c24-21-13-11-20(12-14-21)23-17-19-8-4-10-22(16-19)25-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20-21,23-24H,5,9,11-15,17H2
InChIKeyDPYZOAVPVIXWOM-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide
CID 119128408
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
N-[[4-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366707
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol (CID 119128369) is 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol is OC1CCC(NCc2cccc(OCCCc3ccccc3)c2)CC1.
What is the InChIKey of 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is DPYZOAVPVIXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c24-21-13-11-20(12-14-21)23-17-19-8-4-10-22(16-19)25-15-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16,20-21,23-24H,5,9,11-15,17H2.
What are the key properties of 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol?
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 119128369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).