N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine

C17H19BrClNO — CID 81145811

IUPACN-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-17(2,3)20-11-12-8-9-16(14(19)10-12)21-15-7-5-4-6-13(15)18/h4-10,20H,11H2,1-3H3
InChIKeyMGTTUCCSBCCEDS-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.78
Rot. Bonds4

About N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine

N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81145811) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID81145811
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-17(2,3)20-11-12-8-9-16(14(19)10-12)21-15-7-5-4-6-13(15)18/h4-10,20H,11H2,1-3H3
InChIKeyMGTTUCCSBCCEDS-UHFFFAOYSA-N
XLogP5.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 81145933
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768355
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
N-[[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55146050
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 55147973
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine (CID 81145811) is N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2ccccc2Br)c(Cl)c1.
What is the InChIKey of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MGTTUCCSBCCEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-17(2,3)20-11-12-8-9-16(14(19)10-12)21-15-7-5-4-6-13(15)18/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 368.70 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81145811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).