[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

C16H26N2O — CID 63059898

IUPAC[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)NCc1ccc(N2CCCC2CO)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)17-11-13-6-8-14(9-7-13)18-10-4-5-15(18)12-19/h6-9,15,17,19H,4-5,10-12H2,1-3H3
InChIKeySQRZGEZWHZVCRD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds4

About [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol

[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (PubChem CID 63059898) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
PubChem CID63059898
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)NCc1ccc(N2CCCC2CO)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)17-11-13-6-8-14(9-7-13)18-10-4-5-15(18)12-19/h6-9,15,17,19H,4-5,10-12H2,1-3H3
InChIKeySQRZGEZWHZVCRD-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.54
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

2-methyl-N-[[4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 83045363
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
CID 88585225
[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]piperidin-2-yl]methanol
CID 81147829
[1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63060243
1-[1-[4-[(tert-butylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836685
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
3-[1-[4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467251
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61407251
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol (CID 63059898) is [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is CC(C)(C)NCc1ccc(N2CCCC2CO)cc1.
What is the InChIKey of [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is SQRZGEZWHZVCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)17-11-13-6-8-14(9-7-13)18-10-4-5-15(18)12-19/h6-9,15,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol?
[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63059898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).