[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine

C15H15BrClNO — CID 102663616

IUPAC[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
SMILESNCc1ccc(COCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c16-14-3-1-2-12(6-14)9-19-10-13-5-4-11(8-18)7-15(13)17/h1-7H,8-10,18H2
InChIKeyRTABIERJAIIVTC-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.28
Rot. Bonds5

About [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine

[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine (PubChem CID 102663616) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
PubChem CID102663616
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
SMILESNCc1ccc(COCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C15H15BrClNO/c16-14-3-1-2-12(6-14)9-19-10-13-5-4-11(8-18)7-15(13)17/h1-7H,8-10,18H2
InChIKeyRTABIERJAIIVTC-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
4-bromo-2-chloro-1-[(3-chlorophenyl)methoxymethyl]benzene
CID 113471414
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-3-chlorophenyl]methanamine
CID 102663487
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000
[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
CID 43530931
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
CID 102663566
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 102663600

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine?
The IUPAC name of [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine (CID 102663616) is [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine?
The canonical SMILES for [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine is NCc1ccc(COCc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine?
The InChIKey is RTABIERJAIIVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c16-14-3-1-2-12(6-14)9-19-10-13-5-4-11(8-18)7-15(13)17/h1-7H,8-10,18H2.
What are the key properties of [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine?
[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine has a molecular weight of 340.65 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine is sourced from PubChem (CID 102663616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).