4-[(2S)-2-aminopropyl]phenol;hydrochloride

C9H14ClNO — CID 90673532

IUPAC4-[(2S)-2-aminopropyl]phenol;hydrochloride
SMILESC[C@H](N)Cc1ccc(O)cc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H/t7-;/m0./s1
InChIKeyMYTMYIPUXIMVQW-FJXQXJEOSA-N
MW187.67 g/mol
LogP1.70
Rot. Bonds2

About 4-[(2S)-2-aminopropyl]phenol;hydrochloride

4-[(2S)-2-aminopropyl]phenol;hydrochloride (PubChem CID 90673532) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-[(2S)-2-aminopropyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(2S)-2-aminopropyl]phenol;hydrochloride
PubChem CID90673532
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name4-[(2S)-2-aminopropyl]phenol;hydrochloride
SMILESC[C@H](N)Cc1ccc(O)cc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H/t7-;/m0./s1
InChIKeyMYTMYIPUXIMVQW-FJXQXJEOSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851
4-(2-amino-4-methylpentyl)phenol
CID 62754924
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
4-[(2R)-2-amino-3-hydroxypropyl]phenol;ethane
CID 143560226
[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
1-(4-chlorophenyl)propan-2-amine
CID 3127
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
CID 136889444
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopropyl]phenol;hydrochloride?
The IUPAC name of 4-[(2S)-2-aminopropyl]phenol;hydrochloride (CID 90673532) is 4-[(2S)-2-aminopropyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(2S)-2-aminopropyl]phenol;hydrochloride?
The canonical SMILES for 4-[(2S)-2-aminopropyl]phenol;hydrochloride is C[C@H](N)Cc1ccc(O)cc1.Cl.
What is the InChIKey of 4-[(2S)-2-aminopropyl]phenol;hydrochloride?
The InChIKey is MYTMYIPUXIMVQW-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7(10)6-8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H/t7-;/m0./s1.
What are the key properties of 4-[(2S)-2-aminopropyl]phenol;hydrochloride?
4-[(2S)-2-aminopropyl]phenol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopropyl]phenol;hydrochloride is sourced from PubChem (CID 90673532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).