N,N-bis[(2-bromophenyl)methyl]cyclohexanamine

C20H23Br2N — CID 90670861

IUPACN,N-bis[(2-bromophenyl)methyl]cyclohexanamine
SMILESBrc1ccccc1CN(Cc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C20H23Br2N/c21-19-12-6-4-8-16(19)14-23(18-10-2-1-3-11-18)15-17-9-5-7-13-20(17)22/h4-9,12-13,18H,1-3,10-11,14-15H2
InChIKeyJXJVBBACWVERMO-UHFFFAOYSA-N
MW437.22 g/mol
LogP6.55
Rot. Bonds5

About N,N-bis[(2-bromophenyl)methyl]cyclohexanamine

N,N-bis[(2-bromophenyl)methyl]cyclohexanamine (PubChem CID 90670861) has the molecular formula C20H23Br2N and a molecular weight of 437.22 g/mol. Its IUPAC name is N,N-bis[(2-bromophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN,N-bis[(2-bromophenyl)methyl]cyclohexanamine
PubChem CID90670861
Molecular FormulaC20H23Br2N
Molecular Weight437.22 g/mol
Exact Mass435.02
IUPAC NameN,N-bis[(2-bromophenyl)methyl]cyclohexanamine
SMILESBrc1ccccc1CN(Cc1ccccc1Br)C1CCCCC1
InChIInChI=1S/C20H23Br2N/c21-19-12-6-4-8-16(19)14-23(18-10-2-1-3-11-18)15-17-9-5-7-13-20(17)22/h4-9,12-13,18H,1-3,10-11,14-15H2
InChIKeyJXJVBBACWVERMO-UHFFFAOYSA-N
XLogP6.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bretylium
CID 2431
1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 18499
2-bromo-N,N-dimethylbenzylamine
CID 74792
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
1-(4-Bromobenzyl)piperidine
CID 16495045
trans-(1S,2R)-N-[(2-bromophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 145994210

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-bromophenyl)methyl]cyclohexanamine?
The IUPAC name of N,N-bis[(2-bromophenyl)methyl]cyclohexanamine (CID 90670861) is N,N-bis[(2-bromophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N,N-bis[(2-bromophenyl)methyl]cyclohexanamine?
The canonical SMILES for N,N-bis[(2-bromophenyl)methyl]cyclohexanamine is Brc1ccccc1CN(Cc1ccccc1Br)C1CCCCC1.
What is the InChIKey of N,N-bis[(2-bromophenyl)methyl]cyclohexanamine?
The InChIKey is JXJVBBACWVERMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2N/c21-19-12-6-4-8-16(19)14-23(18-10-2-1-3-11-18)15-17-9-5-7-13-20(17)22/h4-9,12-13,18H,1-3,10-11,14-15H2.
What are the key properties of N,N-bis[(2-bromophenyl)methyl]cyclohexanamine?
N,N-bis[(2-bromophenyl)methyl]cyclohexanamine has a molecular weight of 437.22 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-bromophenyl)methyl]cyclohexanamine is sourced from PubChem (CID 90670861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).