N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine

C17H19BrClNO — CID 81145933

IUPACN-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-12(2)10-20-11-13-7-8-17(15(19)9-13)21-16-6-4-3-5-14(16)18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyWRSARJQCQOWVGE-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.64
Rot. Bonds6

About N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine

N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 81145933) 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-1-amine.

Molecular Properties

Compound NameN-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID81145933
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-12(2)10-20-11-13-7-8-17(15(19)9-13)21-16-6-4-3-5-14(16)18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyWRSARJQCQOWVGE-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 81145811
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
[4-(2-bromophenoxy)-3-chlorophenyl]methanol
CID 81152045
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63486006
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17057002
N-[[3-chloro-4-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369848
3-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]propan-1-ol
CID 63056516
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
2-[2-bromo-4-[(2-methylpropylamino)methyl]phenoxy]acetonitrile
CID 55146625
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 63058381

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine (CID 81145933) is N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Oc2ccccc2Br)c(Cl)c1.
What is the InChIKey of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WRSARJQCQOWVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-12(2)10-20-11-13-7-8-17(15(19)9-13)21-16-6-4-3-5-14(16)18/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 368.70 g/mol, XLogP of 5.64, 6 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-1-amine is sourced from PubChem (CID 81145933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).