N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline

C17H19BrClNO — CID 66253441

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
SMILESCCCOc1ccc(Br)cc1CNc1c(C)cccc1Cl
InChIInChI=1S/C17H19BrClNO/c1-3-9-21-16-8-7-14(18)10-13(16)11-20-17-12(2)5-4-6-15(17)19/h4-8,10,20H,3,9,11H2,1-2H3
InChIKeyUJBISONXQPVJBU-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.81
Rot. Bonds6

About N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline

N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline (PubChem CID 66253441) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
PubChem CID66253441
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline
SMILESCCCOc1ccc(Br)cc1CNc1c(C)cccc1Cl
InChIInChI=1S/C17H19BrClNO/c1-3-9-21-16-8-7-14(18)10-13(16)11-20-17-12(2)5-4-6-15(17)19/h4-8,10,20H,3,9,11H2,1-2H3
InChIKeyUJBISONXQPVJBU-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
CID 65468190
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-6-fluoroaniline
CID 107597890
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[(5-bromo-2-propoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768809
N-[(5-bromo-2-propoxyphenyl)methyl]-3-ethynylaniline
CID 43755451
N-[(5-bromo-2-propoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785187
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66254209
4-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-2-fluoroaniline
CID 43759707
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline (CID 66253441) is N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline is CCCOc1ccc(Br)cc1CNc1c(C)cccc1Cl.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline?
The InChIKey is UJBISONXQPVJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-9-21-16-8-7-14(18)10-13(16)11-20-17-12(2)5-4-6-15(17)19/h4-8,10,20H,3,9,11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline?
N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline has a molecular weight of 368.70 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]-2-chloro-6-methylaniline is sourced from PubChem (CID 66253441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).