(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine

C17H14BrNO — CID 114889861

IUPAC(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
SMILESNCc1cc(Br)ccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H14BrNO/c18-14-8-9-16(13(10-14)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11,19H2
InChIKeyKNVLHUDJUDPQPG-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.85
Rot. Bonds3

About (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine

(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine (PubChem CID 114889861) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
PubChem CID114889861
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
SMILESNCc1cc(Br)ccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H14BrNO/c18-14-8-9-16(13(10-14)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11,19H2
InChIKeyKNVLHUDJUDPQPG-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

(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100
[5-bromo-2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114889837
[5-bromo-2-(3-bromophenoxy)phenyl]methanamine
CID 114889905
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]methanamine
CID 114889865
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
[2-(4-bromo-2-nitrophenoxy)phenyl]methanamine
CID 65431306
1-(2-ethylphenoxy)naphthalene
CID 154158015
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine (CID 114889861) is (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine is NCc1cc(Br)ccc1Oc1cccc2ccccc12.
What is the InChIKey of (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine?
The InChIKey is KNVLHUDJUDPQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-14-8-9-16(13(10-14)11-19)20-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H,11,19H2.
What are the key properties of (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine?
(5-bromo-2-naphthalen-1-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 (5-bromo-2-naphthalen-1-yloxyphenyl)methanamine is sourced from PubChem (CID 114889861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).