[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol

C18H22N2O — CID 175874307

IUPAC[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol
SMILESCNc1ccc(C(O)c2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C18H22N2O/c1-19-16-9-7-14(8-10-16)18(21)15-5-4-6-17(13-15)20-11-2-3-12-20/h4-10,13,18-19,21H,2-3,11-12H2,1H3
InChIKeyMYECMZFIKMTVAK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.41
Rot. Bonds4

About [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol

[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol (PubChem CID 175874307) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol.

Molecular Properties

Compound Name[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol
PubChem CID175874307
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol
SMILESCNc1ccc(C(O)c2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C18H22N2O/c1-19-16-9-7-14(8-10-16)18(21)15-5-4-6-17(13-15)20-11-2-3-12-20/h4-10,13,18-19,21H,2-3,11-12H2,1H3
InChIKeyMYECMZFIKMTVAK-UHFFFAOYSA-N
XLogP3.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-1-(3-piperidin-1-ylphenyl)butane-1,2-diol
CID 171891043
[3-(4-cyclopropylpiperazin-1-yl)phenyl]-phenylmethanol
CID 90930409
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053
2,3-dihydroxy-3-(3-pyrrolidin-1-ylphenyl)propanoic acid
CID 170824731
3-amino-1-(3-piperidin-1-ylphenyl)propane-1,2-diol
CID 170828843
2,3-dihydroxy-3-(3-piperidin-1-ylphenyl)propanenitrile
CID 171871056
N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
CID 171883824
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
imidazo[1,5-a]pyridin-5-yl-(3-piperidin-1-ylphenyl)methanol
CID 134373958
3,4-dihydroxy-4-(3-piperidin-1-ylphenyl)butanoic acid
CID 171878501
N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
CID 60943830
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol?
The IUPAC name of [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol (CID 175874307) is [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol.
What is the SMILES notation for [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol?
The canonical SMILES for [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol is CNc1ccc(C(O)c2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol?
The InChIKey is MYECMZFIKMTVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-16-9-7-14(8-10-16)18(21)15-5-4-6-17(13-15)20-11-2-3-12-20/h4-10,13,18-19,21H,2-3,11-12H2,1H3.
What are the key properties of [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol?
[4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol has a molecular weight of 282.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]-(3-pyrrolidin-1-ylphenyl)methanol is sourced from PubChem (CID 175874307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).