3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol

C18H28N2O — CID 103699820

IUPAC3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C18H28N2O/c21-18-5-3-4-16(12-18)14-19-13-15-6-8-17(9-7-15)20-10-1-2-11-20/h6-9,16,18-19,21H,1-5,10-14H2
InChIKeyUHUQRJCFGHCDLF-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.93
Rot. Bonds5

About 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699820) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699820
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C18H28N2O/c21-18-5-3-4-16(12-18)14-19-13-15-6-8-17(9-7-15)20-10-1-2-11-20/h6-9,16,18-19,21H,1-5,10-14H2
InChIKeyUHUQRJCFGHCDLF-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-[3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560449
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699820) is 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is UHUQRJCFGHCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18-5-3-4-16(12-18)14-19-13-15-6-8-17(9-7-15)20-10-1-2-11-20/h6-9,16,18-19,21H,1-5,10-14H2.
What are the key properties of 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).