(1R)-1-(2-iodophenyl)butane-1,4-diamine

C10H15IN2 — CID 171210506

IUPAC(1R)-1-(2-iodophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1ccccc1I
InChIInChI=1S/C10H15IN2/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5,10H,3,6-7,12-13H2/t10-/m1/s1
InChIKeyXKCBKVKYPWEBGJ-SNVBAGLBSA-N
MW290.15 g/mol
LogP2.03
Rot. Bonds4

About (1R)-1-(2-iodophenyl)butane-1,4-diamine

(1R)-1-(2-iodophenyl)butane-1,4-diamine (PubChem CID 171210506) has the molecular formula C10H15IN2 and a molecular weight of 290.15 g/mol. Its IUPAC name is (1R)-1-(2-iodophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2-iodophenyl)butane-1,4-diamine
PubChem CID171210506
Molecular FormulaC10H15IN2
Molecular Weight290.15 g/mol
Exact Mass290.03
IUPAC Name(1R)-1-(2-iodophenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1ccccc1I
InChIInChI=1S/C10H15IN2/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5,10H,3,6-7,12-13H2/t10-/m1/s1
InChIKeyXKCBKVKYPWEBGJ-SNVBAGLBSA-N
XLogP2.03
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.03
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-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
2-(1,6-diaminohexyl)phenol
CID 19366084
2-[(1R)-1,4-diaminobutyl]benzonitrile;hydrochloride
CID 171202040
1-(2-iodophenyl)-3-naphthalen-2-yloxypropan-1-amine
CID 19884902
1-(2-iodophenyl)-3-methylbutan-1-amine
CID 115782664
(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
CID 171214856
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(1R)-1-(2-nitrophenyl)butane-1,4-diamine
CID 171198283

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-iodophenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2-iodophenyl)butane-1,4-diamine (CID 171210506) is (1R)-1-(2-iodophenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2-iodophenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2-iodophenyl)butane-1,4-diamine is NCCC[C@@H](N)c1ccccc1I.
What is the InChIKey of (1R)-1-(2-iodophenyl)butane-1,4-diamine?
The InChIKey is XKCBKVKYPWEBGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15IN2/c11-9-5-2-1-4-8(9)10(13)6-3-7-12/h1-2,4-5,10H,3,6-7,12-13H2/t10-/m1/s1.
What are the key properties of (1R)-1-(2-iodophenyl)butane-1,4-diamine?
(1R)-1-(2-iodophenyl)butane-1,4-diamine has a molecular weight of 290.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-iodophenyl)butane-1,4-diamine is sourced from PubChem (CID 171210506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).