(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine

C10H11BrIN — CID 131151177

IUPAC(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2ccc(I)c(Br)c21
InChIInChI=1S/C10H11BrIN/c11-10-7(12)5-4-6-2-1-3-8(13)9(6)10/h4-5,8H,1-3,13H2/t8-/m0/s1
InChIKeyITXWPACMBRKLAT-QMMMGPOBSA-N
MW352.01 g/mol
LogP3.39
Rot. Bonds

About (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 131151177) has the molecular formula C10H11BrIN and a molecular weight of 352.01 g/mol. Its IUPAC name is (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID131151177
Molecular FormulaC10H11BrIN
Molecular Weight352.01 g/mol
Exact Mass350.91
IUPAC Name(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2ccc(I)c(Br)c21
InChIInChI=1S/C10H11BrIN/c11-10-7(12)5-4-6-2-1-3-8(13)9(6)10/h4-5,8H,1-3,13H2/t8-/m0/s1
InChIKeyITXWPACMBRKLAT-QMMMGPOBSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.01
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574
(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130713599
4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 130067141
(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 130706367
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
(1S)-8-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130648464
8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 130044107
(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131010416
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271
8-N,8-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 112708810

Frequently Asked Questions

What is the IUPAC name of (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine (CID 131151177) is (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2ccc(I)c(Br)c21.
What is the InChIKey of (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ITXWPACMBRKLAT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11BrIN/c11-10-7(12)5-4-6-2-1-3-8(13)9(6)10/h4-5,8H,1-3,13H2/t8-/m0/s1.
What are the key properties of (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 352.01 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 131151177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).