(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

C14H16BrN3 — CID 97109946

IUPAC(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CC[C@H]2NCCn1ccnc1
InChIInChI=1S/C14H16BrN3/c15-13-3-1-2-12-11(13)4-5-14(12)17-7-9-18-8-6-16-10-18/h1-3,6,8,10,14,17H,4-5,7,9H2/t14-/m1/s1
InChIKeyBMMUZDVEZJIDEI-CQSZACIVSA-N
MW306.21 g/mol
LogP2.92
Rot. Bonds4

About (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 97109946) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID97109946
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CC[C@H]2NCCn1ccnc1
InChIInChI=1S/C14H16BrN3/c15-13-3-1-2-12-11(13)4-5-14(12)17-7-9-18-8-6-16-10-18/h1-3,6,8,10,14,17H,4-5,7,9H2/t14-/m1/s1
InChIKeyBMMUZDVEZJIDEI-CQSZACIVSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 103910363
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113374920
4-fluoro-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300652
8-fluoro-N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 60701951
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724117
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 114185903
N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772810

Frequently Asked Questions

What is the IUPAC name of (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine (CID 97109946) is (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine is Brc1cccc2c1CC[C@H]2NCCn1ccnc1.
What is the InChIKey of (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BMMUZDVEZJIDEI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-13-3-1-2-12-11(13)4-5-14(12)17-7-9-18-8-6-16-10-18/h1-3,6,8,10,14,17H,4-5,7,9H2/t14-/m1/s1.
What are the key properties of (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine?
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 306.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97109946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).