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

C17H30ClNO — CID 171197802

IUPAC4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
SMILESCC[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl
InChIInChI=1S/C17H29NO.ClH/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7;/h9-10,14,19H,8,18H2,1-7H3;1H/t14-;/m1./s1
InChIKeyWZJXPBHLNFDPNB-PFEQFJNWSA-N
MW299.89 g/mol
LogP4.82
Rot. Bonds2

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

4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride (PubChem CID 171197802) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
PubChem CID171197802
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC Name4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
SMILESCC[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl
InChIInChI=1S/C17H29NO.ClH/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7;/h9-10,14,19H,8,18H2,1-7H3;1H/t14-;/m1./s1
InChIKeyWZJXPBHLNFDPNB-PFEQFJNWSA-N
XLogP4.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
4-[(1R)-1-amino-3-fluoropropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197822
4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197816
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 170875716
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;hydrate
CID 170872551
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-[(1S)-1-aminoprop-2-enyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217313
4-[(1S,3R)-3-amino-1-hydroxy-4,4-dimethylpentyl]-2,6-ditert-butylphenol;hydrochloride
CID 171237395
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol
CID 171162047
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride (CID 171197802) is 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride is CC[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cl.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride?
The InChIKey is WZJXPBHLNFDPNB-PFEQFJNWSA-N. The full InChI is InChI=1S/C17H29NO.ClH/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7;/h9-10,14,19H,8,18H2,1-7H3;1H/t14-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride?
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride has a molecular weight of 299.89 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride is sourced from PubChem (CID 171197802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).