N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine

C18H21Br2N — CID 90670860

IUPACN,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N(Cc1ccccc1Br)Cc1ccccc1Br
InChIInChI=1S/C18H21Br2N/c1-18(2,3)21(12-14-8-4-6-10-16(14)19)13-15-9-5-7-11-17(15)20/h4-11H,12-13H2,1-3H3
InChIKeyQLMVYEJSJIQMFZ-UHFFFAOYSA-N
MW411.18 g/mol
LogP6.01
Rot. Bonds4

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

N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine (PubChem CID 90670860) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
PubChem CID90670860
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC NameN,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N(Cc1ccccc1Br)Cc1ccccc1Br
InChIInChI=1S/C18H21Br2N/c1-18(2,3)21(12-14-8-4-6-10-16(14)19)13-15-9-5-7-11-17(15)20/h4-11H,12-13H2,1-3H3
InChIKeyQLMVYEJSJIQMFZ-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
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1,1-bis[(2-bromophenyl)methyl]hydrazine
CID 175527496
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
CID 155291918
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
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CID 66049057

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine (CID 90670860) is N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)N(Cc1ccccc1Br)Cc1ccccc1Br.
What is the InChIKey of N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is QLMVYEJSJIQMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-18(2,3)21(12-14-8-4-6-10-16(14)19)13-15-9-5-7-11-17(15)20/h4-11H,12-13H2,1-3H3.
What are the key properties of N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine?
N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 411.18 g/mol, XLogP of 6.01, 4 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]-2-methylpropan-2-amine is sourced from PubChem (CID 90670860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).