(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride

C10H16BrClN2O — CID 171204828

IUPAC(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc(Br)c([C@H](N)CCN)c1.Cl
InChIInChI=1S/C10H15BrN2O.ClH/c1-14-7-2-3-9(11)8(6-7)10(13)4-5-12;/h2-3,6,10H,4-5,12-13H2,1H3;1H/t10-;/m1./s1
InChIKeyYYQRNOSGIPNCOE-HNCPQSOCSA-N
MW295.61 g/mol
LogP2.23
Rot. Bonds4

About (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride

(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171204828) has the molecular formula C10H16BrClN2O and a molecular weight of 295.61 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
PubChem CID171204828
Molecular FormulaC10H16BrClN2O
Molecular Weight295.61 g/mol
Exact Mass294.01
IUPAC Name(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc(Br)c([C@H](N)CCN)c1.Cl
InChIInChI=1S/C10H15BrN2O.ClH/c1-14-7-2-3-9(11)8(6-7)10(13)4-5-12;/h2-3,6,10H,4-5,12-13H2,1H3;1H/t10-;/m1./s1
InChIKeyYYQRNOSGIPNCOE-HNCPQSOCSA-N
XLogP2.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.61
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromo-5-methoxyphenyl)butane-1,4-diamine
CID 171224402
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878
1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 105156340
1-(2-bromo-5-methoxyphenyl)hex-4-yn-1-amine
CID 105181442
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
1-(2-bromo-5-methoxyphenyl)but-3-en-1-amine
CID 112693724
ethyl (3S)-3-amino-3-(2-bromo-5-methoxyphenyl)propanoate;hydrochloride
CID 171224445
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride (CID 171204828) is (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride is COc1ccc(Br)c([C@H](N)CCN)c1.Cl.
What is the InChIKey of (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is YYQRNOSGIPNCOE-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H15BrN2O.ClH/c1-14-7-2-3-9(11)8(6-7)10(13)4-5-12;/h2-3,6,10H,4-5,12-13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 295.61 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-methoxyphenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171204828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).