4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C15H25ClN2O — CID 120962692

IUPAC4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(C)c1ccc(CNCC2CNCC2O)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11(2)13-5-3-12(4-6-13)7-16-8-14-9-17-10-15(14)18;/h3-6,11,14-18H,7-10H2,1-2H3;1H
InChIKeySRYKSTKMPMXGCD-UHFFFAOYSA-N
MW284.83 g/mol
LogP1.90
Rot. Bonds5

About 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962692) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962692
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCC(C)c1ccc(CNCC2CNCC2O)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-11(2)13-5-3-12(4-6-13)7-16-8-14-9-17-10-15(14)18;/h3-6,11,14-18H,7-10H2,1-2H3;1H
InChIKeySRYKSTKMPMXGCD-UHFFFAOYSA-N
XLogP1.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962514
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643
4-[[(3-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963056
4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
CID 120962997
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961946
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
N-[(4-propan-2-ylphenyl)methyl]-1-(thian-4-yl)methanamine
CID 113235575

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962692) is 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is CC(C)c1ccc(CNCC2CNCC2O)cc1.Cl.
What is the InChIKey of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is SRYKSTKMPMXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-11(2)13-5-3-12(4-6-13)7-16-8-14-9-17-10-15(14)18;/h3-6,11,14-18H,7-10H2,1-2H3;1H.
What are the key properties of 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).