(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine

C18H16BrNO — CID 63532585

IUPAC(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
SMILESC[C@H](N)c1ccc(Oc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C18H16BrNO/c1-12(20)13-6-9-15(10-7-13)21-17-11-8-14-4-2-3-5-16(14)18(17)19/h2-12H,20H2,1H3/t12-/m0/s1
InChIKeyLDJRLYCJUAZMNF-LBPRGKRZSA-N
MW342.24 g/mol
LogP5.41
Rot. Bonds3

About (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine

(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine (PubChem CID 63532585) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
PubChem CID63532585
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
SMILESC[C@H](N)c1ccc(Oc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C18H16BrNO/c1-12(20)13-6-9-15(10-7-13)21-17-11-8-14-4-2-3-5-16(14)18(17)19/h2-12H,20H2,1H3/t12-/m0/s1
InChIKeyLDJRLYCJUAZMNF-LBPRGKRZSA-N
XLogP5.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.24
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63803686
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 43189121
(1S)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 78933581
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
CID 22806370
2-[3-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine
CID 63941373
5-(1-bromonaphthalen-2-yl)oxy-3-propan-2-yl-1,2,4-thiadiazole
CID 65272573
5-bromo-2-(1-bromonaphthalen-2-yl)oxyaniline
CID 63457779
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine (CID 63532585) is (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine is C[C@H](N)c1ccc(Oc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
The InChIKey is LDJRLYCJUAZMNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12(20)13-6-9-15(10-7-13)21-17-11-8-14-4-2-3-5-16(14)18(17)19/h2-12H,20H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine?
(1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine has a molecular weight of 342.24 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1-bromonaphthalen-2-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 63532585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).