1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

C17H19BrClNO — CID 107945718

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C17H19BrClNO/c1-3-8-21-16-6-4-12(5-7-16)17(20-2)13-9-14(18)11-15(19)10-13/h4-7,9-11,17,20H,3,8H2,1-2H3
InChIKeyMERDEPHXIXRXNK-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.20
Rot. Bonds6

About 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine

1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (PubChem CID 107945718) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
PubChem CID107945718
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C17H19BrClNO/c1-3-8-21-16-6-4-12(5-7-16)17(20-2)13-9-14(18)11-15(19)10-13/h4-7,9-11,17,20H,3,8H2,1-2H3
InChIKeyMERDEPHXIXRXNK-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(3-bromo-5-chlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 107945351
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105144257
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
[(3-bromo-5-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 107948448
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-(2,3-dichlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853395

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine (CID 107945718) is 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
The InChIKey is MERDEPHXIXRXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-8-21-16-6-4-12(5-7-16)17(20-2)13-9-14(18)11-15(19)10-13/h4-7,9-11,17,20H,3,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine has a molecular weight of 368.70 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 107945718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).