1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

C14H19BrClNO — CID 114269056

IUPAC1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(c1c(Cl)cccc1Br)C1(C)CCCCO1
InChIInChI=1S/C14H19BrClNO/c1-14(8-3-4-9-18-14)13(17-2)12-10(15)6-5-7-11(12)16/h5-7,13,17H,3-4,8-9H2,1-2H3
InChIKeyUQAPLVOKRKWEOU-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.32
Rot. Bonds3

About 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (PubChem CID 114269056) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
PubChem CID114269056
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(c1c(Cl)cccc1Br)C1(C)CCCCO1
InChIInChI=1S/C14H19BrClNO/c1-14(8-3-4-9-18-14)13(17-2)12-10(15)6-5-7-11(12)16/h5-7,13,17H,3-4,8-9H2,1-2H3
InChIKeyUQAPLVOKRKWEOU-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 107360044
2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880
N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
CID 81224497
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
[(2-bromo-6-chlorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 114269215
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 104660580
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 102857846
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114939321
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (CID 114269056) is 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is CNC(c1c(Cl)cccc1Br)C1(C)CCCCO1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The InChIKey is UQAPLVOKRKWEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-14(8-3-4-9-18-14)13(17-2)12-10(15)6-5-7-11(12)16/h5-7,13,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine has a molecular weight of 332.67 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 114269056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).