(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C16H14BrNO — CID 129409889

IUPAC(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1/c2ccccc2CC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)18-19/h1-6,8-9,15,19H,7,10H2/b18-16-/t15-/m0/s1
InChIKeyYUTYTWSWKOEGKW-ROAZCBAYSA-N
MW316.20 g/mol
LogP4.36
Rot. Bonds1

About (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 129409889) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID129409889
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1/c2ccccc2CC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)18-19/h1-6,8-9,15,19H,7,10H2/b18-16-/t15-/m0/s1
InChIKeyYUTYTWSWKOEGKW-ROAZCBAYSA-N
XLogP4.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1E,2S)-1-hydroxyimino-3,4-dihydro-2H-naphthalen-2-yl]phenol
CID 129409898
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
(NE)-N-(7-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 10635537
N-(2-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 85451708
(3S)-3-(4-bromophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404868
(NE)-N-[2-(imidazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 6183753
(2S)-2-naphthalen-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 90280813
(NZ)-N-[6-(3,4-dimethoxyphenyl)-7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-ylidene]hydroxylamine
CID 5383421
4,14-dibromo-8-(4-methoxyphenyl)tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163699089
(3'R,6S)-3'-(4-bromophenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-oxirane]-5-one
CID 6933149
(3R)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 7394145
(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 10599690

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 129409889) is (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is O/N=C1/c2ccccc2CC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is YUTYTWSWKOEGKW-ROAZCBAYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)16(15)18-19/h1-6,8-9,15,19H,7,10H2/b18-16-/t15-/m0/s1.
What are the key properties of (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 316.20 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2S)-2-(4-bromophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 129409889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).