4-(2-aminopropyl)phenol;dihydrobromide

C9H15Br2NO — CID 23615767

IUPAC4-(2-aminopropyl)phenol;dihydrobromide
SMILESBr.Br.CC(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO.2BrH/c1-7(10)6-8-2-4-9(11)5-3-8;;/h2-5,7,11H,6,10H2,1H3;2*1H
InChIKeyBKXNQOFRIKTLJY-UHFFFAOYSA-N
MW313.03 g/mol
LogP2.44
Rot. Bonds2

About 4-(2-aminopropyl)phenol;dihydrobromide

4-(2-aminopropyl)phenol;dihydrobromide (PubChem CID 23615767) has the molecular formula C9H15Br2NO and a molecular weight of 313.03 g/mol. Its IUPAC name is 4-(2-aminopropyl)phenol;dihydrobromide.

Molecular Properties

Compound Name4-(2-aminopropyl)phenol;dihydrobromide
PubChem CID23615767
Molecular FormulaC9H15Br2NO
Molecular Weight313.03 g/mol
Exact Mass310.95
IUPAC Name4-(2-aminopropyl)phenol;dihydrobromide
SMILESBr.Br.CC(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO.2BrH/c1-7(10)6-8-2-4-9(11)5-3-8;;/h2-5,7,11H,6,10H2,1H3;2*1H
InChIKeyBKXNQOFRIKTLJY-UHFFFAOYSA-N
XLogP2.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.03
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
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
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)phenol;dihydrobromide?
The IUPAC name of 4-(2-aminopropyl)phenol;dihydrobromide (CID 23615767) is 4-(2-aminopropyl)phenol;dihydrobromide.
What is the SMILES notation for 4-(2-aminopropyl)phenol;dihydrobromide?
The canonical SMILES for 4-(2-aminopropyl)phenol;dihydrobromide is Br.Br.CC(N)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminopropyl)phenol;dihydrobromide?
The InChIKey is BKXNQOFRIKTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.2BrH/c1-7(10)6-8-2-4-9(11)5-3-8;;/h2-5,7,11H,6,10H2,1H3;2*1H.
What are the key properties of 4-(2-aminopropyl)phenol;dihydrobromide?
4-(2-aminopropyl)phenol;dihydrobromide has a molecular weight of 313.03 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)phenol;dihydrobromide is sourced from PubChem (CID 23615767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).