(1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine

C20H18BrN — CID 53241965

IUPAC(1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine
SMILESC=C[C@H](c1ccc(Br)cc1)[C@@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C20H18BrN/c1-2-19(15-9-11-18(21)12-10-15)20(22)17-8-7-14-5-3-4-6-16(14)13-17/h2-13,19-20H,1,22H2/t19-,20+/m1/s1
InChIKeyPFUYXVJFMIJELF-UXHICEINSA-N
MW352.28 g/mol
LogP5.57
Rot. Bonds4

About (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine

(1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine (PubChem CID 53241965) has the molecular formula C20H18BrN and a molecular weight of 352.28 g/mol. Its IUPAC name is (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine
PubChem CID53241965
Molecular FormulaC20H18BrN
Molecular Weight352.28 g/mol
Exact Mass351.06
IUPAC Name(1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine
SMILESC=C[C@H](c1ccc(Br)cc1)[C@@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C20H18BrN/c1-2-19(15-9-11-18(21)12-10-15)20(22)17-8-7-14-5-3-4-6-16(14)13-17/h2-13,19-20H,1,22H2/t19-,20+/m1/s1
InChIKeyPFUYXVJFMIJELF-UXHICEINSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.28
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
[(4-bromophenyl)-naphthalen-2-ylmethyl]hydrazine
CID 105192358
(2R,3R)-2-chloro-3-naphthalen-2-ylpent-4-enal
CID 146167139
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
2-bromonaphthalene
CID 50940586
amino(naphthalen-2-yl)methanethiol
CID 116939563
1-naphthalen-2-ylethanamine
CID 3857145
2-[bromo(fluoro)methyl]naphthalene
CID 118536685
amino(naphthalen-2-yl)methanol
CID 57110079
acetic acid;1-naphthalen-2-ylprop-2-en-1-ol
CID 70153213
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine?
The IUPAC name of (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine (CID 53241965) is (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine.
What is the SMILES notation for (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine?
The canonical SMILES for (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine is C=C[C@H](c1ccc(Br)cc1)[C@@H](N)c1ccc2ccccc2c1.
What is the InChIKey of (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine?
The InChIKey is PFUYXVJFMIJELF-UXHICEINSA-N. The full InChI is InChI=1S/C20H18BrN/c1-2-19(15-9-11-18(21)12-10-15)20(22)17-8-7-14-5-3-4-6-16(14)13-17/h2-13,19-20H,1,22H2/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine?
(1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine has a molecular weight of 352.28 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(4-bromophenyl)-1-naphthalen-2-ylbut-3-en-1-amine is sourced from PubChem (CID 53241965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).