[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

C18H30N2O — CID 102782606

IUPAC[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(CNCC(C)C)ccc1N1CCC(C)C1CO
InChIInChI=1S/C18H30N2O/c1-13(2)10-19-11-16-5-6-17(15(4)9-16)20-8-7-14(3)18(20)12-21/h5-6,9,13-14,18-19,21H,7-8,10-12H2,1-4H3
InChIKeyDSIBYIOFKLKNHG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds6

About [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (PubChem CID 102782606) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
PubChem CID102782606
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(CNCC(C)C)ccc1N1CCC(C)C1CO
InChIInChI=1S/C18H30N2O/c1-13(2)10-19-11-16-5-6-17(15(4)9-16)20-8-7-14(3)18(20)12-21/h5-6,9,13-14,18-19,21H,7-8,10-12H2,1-4H3
InChIKeyDSIBYIOFKLKNHG-UHFFFAOYSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 114679400
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63071669
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231
N-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059455
1-[2-chloro-4-[(2-methylpropylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960937
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63072495
1-[2-chloro-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-3-ol
CID 81149037
N-[[3-fluoro-4-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058827
1-[4-(ethylaminomethyl)-2-methylphenyl]-4-methylpiperidin-3-ol
CID 102960877

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (CID 102782606) is [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is Cc1cc(CNCC(C)C)ccc1N1CCC(C)C1CO.
What is the InChIKey of [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is DSIBYIOFKLKNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)10-19-11-16-5-6-17(15(4)9-16)20-8-7-14(3)18(20)12-21/h5-6,9,13-14,18-19,21H,7-8,10-12H2,1-4H3.
What are the key properties of [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 290.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).