N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline

C15H16BrNO — CID 43672072

IUPACN-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNO/c1-18-11-13-5-3-7-15(9-13)17-10-12-4-2-6-14(16)8-12/h2-9,17H,10-11H2,1H3
InChIKeyDREMKJIDINTASW-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.21
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline

N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline (PubChem CID 43672072) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
PubChem CID43672072
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNO/c1-18-11-13-5-3-7-15(9-13)17-10-12-4-2-6-14(16)8-12/h2-9,17H,10-11H2,1H3
InChIKeyDREMKJIDINTASW-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
N'-hydroxy-3-[[3-(methoxymethyl)anilino]methyl]benzenecarboximidamide
CID 77031597
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 81292705

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline (CID 43672072) is N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline is COCc1cccc(NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline?
The InChIKey is DREMKJIDINTASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-18-11-13-5-3-7-15(9-13)17-10-12-4-2-6-14(16)8-12/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline?
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline has a molecular weight of 306.20 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).