4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine

C14H15BrN2O — CID 55232940

IUPAC4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NCc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C14H15BrN2O/c1-18-14-8-12(6-7-13(14)16)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9,16H2,1H3
InChIKeyPUKCUMFASDTWSC-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.65
Rot. Bonds4

About 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine

4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine (PubChem CID 55232940) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
PubChem CID55232940
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NCc2ccc(Br)cc2)ccc1N
InChIInChI=1S/C14H15BrN2O/c1-18-14-8-12(6-7-13(14)16)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9,16H2,1H3
InChIKeyPUKCUMFASDTWSC-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-N-[(4-methylsulfonylphenyl)methyl]benzene-1,4-diamine
CID 63676679
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
CID 107231702
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
CID 83142108
4-bromo-3-methoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82857502
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxyaniline
CID 63997239
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
5-[(4-bromoanilino)methyl]-2-methoxybenzonitrile
CID 65336149
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671606

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine (CID 55232940) is 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine is COc1cc(NCc2ccc(Br)cc2)ccc1N.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine?
The InChIKey is PUKCUMFASDTWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-14-8-12(6-7-13(14)16)17-9-10-2-4-11(15)5-3-10/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine?
4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine has a molecular weight of 307.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 55232940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).