(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride

C15H25ClN2O — CID 171252027

IUPAC(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccc(N2CCCC2)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-15(2,11-18)14(16)12-5-7-13(8-6-12)17-9-3-4-10-17;/h5-8,14,18H,3-4,9-11,16H2,1-2H3;1H/t14-;/m0./s1
InChIKeyFIHWCNHUQHXXBD-UQKRIMTDSA-N
MW284.83 g/mol
LogP2.73
Rot. Bonds4

About (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride

(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride (PubChem CID 171252027) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride
PubChem CID171252027
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@@H](N)c1ccc(N2CCCC2)cc1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-15(2,11-18)14(16)12-5-7-13(8-6-12)17-9-3-4-10-17;/h5-8,14,18H,3-4,9-11,16H2,1-2H3;1H/t14-;/m0./s1
InChIKeyFIHWCNHUQHXXBD-UQKRIMTDSA-N
XLogP2.73
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171245296
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
methyl (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanoate
CID 171252016
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(1S,2R)-1-amino-3-methyl-1-(4-pyrrolidin-1-ylphenyl)butan-2-ol
CID 171272024
(3S)-3-amino-2,2-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride
CID 171248825
2-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]propan-1-ol
CID 28725563
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride (CID 171252027) is (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride is CC(C)(CO)[C@@H](N)c1ccc(N2CCCC2)cc1.Cl.
What is the InChIKey of (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride?
The InChIKey is FIHWCNHUQHXXBD-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-15(2,11-18)14(16)12-5-7-13(8-6-12)17-9-3-4-10-17;/h5-8,14,18H,3-4,9-11,16H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171252027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).