1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine

C16H27BrN2 — CID 14934129

IUPAC1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(C)(C)C)cc(CN(C)C)c1Br
InChIInChI=1S/C16H27BrN2/c1-16(2,3)14-8-12(10-18(4)5)15(17)13(9-14)11-19(6)7/h8-9H,10-11H2,1-7H3
InChIKeyHDWDHDGARMVARG-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine

1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 14934129) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID14934129
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(C)(C)C)cc(CN(C)C)c1Br
InChIInChI=1S/C16H27BrN2/c1-16(2,3)14-8-12(10-18(4)5)15(17)13(9-14)11-19(6)7/h8-9H,10-11H2,1-7H3
InChIKeyHDWDHDGARMVARG-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 136827544
CID 136827544
2-bromo-5-tert-butyl-1,3-bis[(2-methylpropan-2-yl)oxymethyl]benzene
CID 59731085
4-tert-butyl-2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 177498883
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-3-[(dimethylamino)methyl]-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]-6-[(dimethylamino)methyl]phenol
CID 136912073
5-bromo-6-tert-butyl-2-[(dimethylamino)methyl]pyrimidin-4-amine
CID 79088166
4-tert-butyl-2-[[2-[(5-tert-butyl-3-ethyl-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-6-ethylphenol
CID 177492098
6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol
CID 22101590
2-bromo-4-tert-butyl-6-ethylphenol
CID 12857381
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
2-bromo-6-[(dimethylamino)methyl]benzene-1,4-diamine
CID 89199657

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine (CID 14934129) is 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cc(C(C)(C)C)cc(CN(C)C)c1Br.
What is the InChIKey of 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is HDWDHDGARMVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-16(2,3)14-8-12(10-18(4)5)15(17)13(9-14)11-19(6)7/h8-9H,10-11H2,1-7H3.
What are the key properties of 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 327.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-tert-butyl-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 14934129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).