N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine

C22H28Br2N2 — CID 46231608

IUPACN-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESBrc1ccc(CNCC2CCCC(CNCc3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C22H28Br2N2/c23-21-8-4-17(5-9-21)13-25-15-19-2-1-3-20(12-19)16-26-14-18-6-10-22(24)11-7-18/h4-11,19-20,25-26H,1-3,12-16H2
InChIKeyUULWMSWIFNCUOY-UHFFFAOYSA-N
MW480.29 g/mol
LogP5.90
Rot. Bonds8

About N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine

N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine (PubChem CID 46231608) has the molecular formula C22H28Br2N2 and a molecular weight of 480.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine
PubChem CID46231608
Molecular FormulaC22H28Br2N2
Molecular Weight480.29 g/mol
Exact Mass478.06
IUPAC NameN-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESBrc1ccc(CNCC2CCCC(CNCc3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C22H28Br2N2/c23-21-8-4-17(5-9-21)13-25-15-19-2-1-3-20(12-19)16-26-14-18-6-10-22(24)11-7-18/h4-11,19-20,25-26H,1-3,12-16H2
InChIKeyUULWMSWIFNCUOY-UHFFFAOYSA-N
XLogP5.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.29
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromophenyl)methyl]piperazine
CID 876494
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
(1R,4S)-4-(4-Bromophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 18600609
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
N-benzyl-1-(3-bromophenyl)methanamine
CID 2756617
N-benzyl-1-(4-bromophenyl)methanamine
CID 3876431
N,N-Bis(4-bromobenzyl)amine
CID 10601487
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
1-benzyl-N-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 43221362
(1S,4S)-4-(4-bromophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 54581798
trans-(1S,2R)-N-[(4-bromo-2-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145981420

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine (CID 46231608) is N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine is Brc1ccc(CNCC2CCCC(CNCc3ccc(Br)cc3)C2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine?
The InChIKey is UULWMSWIFNCUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Br2N2/c23-21-8-4-17(5-9-21)13-25-15-19-2-1-3-20(12-19)16-26-14-18-6-10-22(24)11-7-18/h4-11,19-20,25-26H,1-3,12-16H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine?
N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine has a molecular weight of 480.29 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-[3-[[(4-bromophenyl)methylamino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 46231608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).