(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine

C23H20BrN — CID 25006403

IUPAC(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
SMILESCC(NC/C=C/C#Cc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H20BrN/c1-18(22-12-7-10-20-9-4-5-11-23(20)22)25-17-6-2-3-8-19-13-15-21(24)16-14-19/h2,4-7,9-16,18,25H,17H2,1H3/b6-2+
InChIKeyWGDCZHCYMWZSHX-QHHAFSJGSA-N
MW390.32 g/mol
LogP5.86
Rot. Bonds4

About (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine

(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine (PubChem CID 25006403) has the molecular formula C23H20BrN and a molecular weight of 390.32 g/mol. Its IUPAC name is (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
PubChem CID25006403
Molecular FormulaC23H20BrN
Molecular Weight390.32 g/mol
Exact Mass389.08
IUPAC Name(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
SMILESCC(NC/C=C/C#Cc1ccc(Br)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H20BrN/c1-18(22-12-7-10-20-9-4-5-11-23(20)22)25-17-6-2-3-8-19-13-15-21(24)16-14-19/h2,4-7,9-16,18,25H,17H2,1H3/b6-2+
InChIKeyWGDCZHCYMWZSHX-QHHAFSJGSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
CID 59562927
2-[(E)-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]isoindole-1,3-dione
CID 59562972
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
4-methyl-N-[(E)-8-[[(1R)-1-naphthalen-1-ylethyl]amino]oct-6-en-4-ynyl]benzenesulfonamide
CID 59562872
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
methyl (E)-2,2-dimethyl-6-[[(1R)-1-naphthalen-1-ylethyl]amino]hex-4-enoate
CID 70834224

Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine?
The IUPAC name of (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine (CID 25006403) is (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine?
The canonical SMILES for (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine is CC(NC/C=C/C#Cc1ccc(Br)cc1)c1cccc2ccccc12.
What is the InChIKey of (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine?
The InChIKey is WGDCZHCYMWZSHX-QHHAFSJGSA-N. The full InChI is InChI=1S/C23H20BrN/c1-18(22-12-7-10-20-9-4-5-11-23(20)22)25-17-6-2-3-8-19-13-15-21(24)16-14-19/h2,4-7,9-16,18,25H,17H2,1H3/b6-2+.
What are the key properties of (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine?
(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine has a molecular weight of 390.32 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine is sourced from PubChem (CID 25006403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).