(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride

C8H12ClIN2 — CID 171222425

IUPAC(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(I)cc1
InChIInChI=1S/C8H11IN2.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4,8H,5,10-11H2;1H/t8-;/m0./s1
InChIKeyQNPNPGVYGMFQRG-QRPNPIFTSA-N
MW298.56 g/mol
LogP1.67
Rot. Bonds2

About (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171222425) has the molecular formula C8H12ClIN2 and a molecular weight of 298.56 g/mol. Its IUPAC name is (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171222425
Molecular FormulaC8H12ClIN2
Molecular Weight298.56 g/mol
Exact Mass297.97
IUPAC Name(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1ccc(I)cc1
InChIInChI=1S/C8H11IN2.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4,8H,5,10-11H2;1H/t8-;/m0./s1
InChIKeyQNPNPGVYGMFQRG-QRPNPIFTSA-N
XLogP1.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
(3S)-3-amino-3-(4-iodophenyl)propanenitrile;hydrochloride
CID 171259922
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-iodophenyl)pent-3-yn-1-amine
CID 115819140
1-(4-iodophenyl)-4,4-dimethylpentan-1-amine
CID 112630998
(1R)-1-(4-iodophenyl)-3-methylbut-3-en-1-amine
CID 130815078
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784
2-(4-iodophenyl)-1-(4-methylphenyl)ethanamine
CID 65477285
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride (CID 171222425) is (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@H](N)c1ccc(I)cc1.
What is the InChIKey of (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is QNPNPGVYGMFQRG-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H11IN2.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4,8H,5,10-11H2;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 298.56 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171222425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).