(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine

C17H14BrNO — CID 43364990

IUPAC(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
SMILESNCc1ccc(Br)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNO/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2
InChIKeyGSBGMWQWTHDNSE-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.85
Rot. Bonds3

About (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine

(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine (PubChem CID 43364990) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
PubChem CID43364990
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
SMILESNCc1ccc(Br)cc1Oc1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNO/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2
InChIKeyGSBGMWQWTHDNSE-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-naphthalen-2-yloxyphenyl)methanamine
CID 19627401
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[4-(6-bromonaphthalen-2-yl)oxy-3-pyridinyl]methanamine
CID 81251221
2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
CID 107315464
[4-bromo-2-(3-methyl-4-nitrophenoxy)phenyl]methanamine
CID 61030911
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine (CID 43364990) is (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine is NCc1ccc(Br)cc1Oc1ccc2ccccc2c1.
What is the InChIKey of (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine?
The InChIKey is GSBGMWQWTHDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2.
What are the key properties of (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine?
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine has a molecular weight of 328.21 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-naphthalen-2-yloxyphenyl)methanamine is sourced from PubChem (CID 43364990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).