trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine

C20H24Br2N2 — CID 134962742

IUPACtrans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine
SMILESBrc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1Br
InChIInChI=1S/C20H24Br2N2/c21-17-9-3-1-7-15(17)13-23-19-11-5-6-12-20(19)24-14-16-8-2-4-10-18(16)22/h1-4,7-10,19-20,23-24H,5-6,11-14H2/t19-,20-/m1/s1
InChIKeyMBEJYWRHYUSRNB-WOJBJXKFSA-N
MW452.23 g/mol
LogP5.40
Rot. Bonds6

About trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 134962742) has the molecular formula C20H24Br2N2 and a molecular weight of 452.23 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine
PubChem CID134962742
Molecular FormulaC20H24Br2N2
Molecular Weight452.23 g/mol
Exact Mass450.03
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine
SMILESBrc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1Br
InChIInChI=1S/C20H24Br2N2/c21-17-9-3-1-7-15(17)13-23-19-11-5-6-12-20(19)24-14-16-8-2-4-10-18(16)22/h1-4,7-10,19-20,23-24H,5-6,11-14H2/t19-,20-/m1/s1
InChIKeyMBEJYWRHYUSRNB-WOJBJXKFSA-N
XLogP5.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.23
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
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N,N-Bis(4-bromobenzyl)amine
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N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
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trans-(1S,2R)-N-[(2-bromophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145994210
N-[(3-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166634581
Benzenemethanamine, 2-bromo-N-butyl-
CID 485402
N-(2-bromobenzyl)propan-2-amine
CID 11988160
1-(2-Bromobenzyl)piperazine
CID 764713
2-(4-Bromophenyl)-1,4,7,10-tetrazacyclododecane
CID 44453743

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine (CID 134962742) is trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine is Brc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1Br.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is MBEJYWRHYUSRNB-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24Br2N2/c21-17-9-3-1-7-15(17)13-23-19-11-5-6-12-20(19)24-14-16-8-2-4-10-18(16)22/h1-4,7-10,19-20,23-24H,5-6,11-14H2/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 452.23 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis[(2-bromophenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 134962742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).