4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride

C19H32ClNO — CID 171197816

IUPAC4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
SMILESCC(C)(C)c1cc([C@H](N)CC2CC2)cc(C(C)(C)C)c1O.Cl
InChIInChI=1S/C19H31NO.ClH/c1-18(2,3)14-10-13(16(20)9-12-7-8-12)11-15(17(14)21)19(4,5)6;/h10-12,16,21H,7-9,20H2,1-6H3;1H/t16-;/m1./s1
InChIKeySYYUAVKFKCPLGX-PKLMIRHRSA-N
MW325.92 g/mol
LogP5.21
Rot. Bonds3

About 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride

4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride (PubChem CID 171197816) has the molecular formula C19H32ClNO and a molecular weight of 325.92 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
PubChem CID171197816
Molecular FormulaC19H32ClNO
Molecular Weight325.92 g/mol
Exact Mass325.22
IUPAC Name4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
SMILESCC(C)(C)c1cc([C@H](N)CC2CC2)cc(C(C)(C)C)c1O.Cl
InChIInChI=1S/C19H31NO.ClH/c1-18(2,3)14-10-13(16(20)9-12-7-8-12)11-15(17(14)21)19(4,5)6;/h10-12,16,21H,7-9,20H2,1-6H3;1H/t16-;/m1./s1
InChIKeySYYUAVKFKCPLGX-PKLMIRHRSA-N
XLogP5.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.92
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
4-[(S)-amino(cyclohexyl)methyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217339
4-[(1R)-1-amino-3-fluoropropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197822
4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
CID 171197827
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160610
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 170875716
4-[(1S)-1-aminoprop-2-enyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217313
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;hydrate
CID 170872551
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
CID 171234989
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
3-[(1S)-1-amino-2-cyclopropylethyl]-5-fluorophenol
CID 130657885

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride (CID 171197816) is 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride is CC(C)(C)c1cc([C@H](N)CC2CC2)cc(C(C)(C)C)c1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride?
The InChIKey is SYYUAVKFKCPLGX-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H31NO.ClH/c1-18(2,3)14-10-13(16(20)9-12-7-8-12)11-15(17(14)21)19(4,5)6;/h10-12,16,21H,7-9,20H2,1-6H3;1H/t16-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride?
4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride has a molecular weight of 325.92 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride is sourced from PubChem (CID 171197816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).