4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine

C14H13BrClN — CID 113384488

IUPAC4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine
SMILESClC/C=C/CNc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H13BrClN/c15-13-7-8-14(17-10-4-3-9-16)12-6-2-1-5-11(12)13/h1-8,17H,9-10H2/b4-3+
InChIKeyZKAMLGZWGPISLB-ONEGZZNKSA-N
MW310.62 g/mol
LogP4.81
Rot. Bonds4

About 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine

4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine (PubChem CID 113384488) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine
PubChem CID113384488
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine
SMILESClC/C=C/CNc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H13BrClN/c15-13-7-8-14(17-10-4-3-9-16)12-6-2-1-5-11(12)13/h1-8,17H,9-10H2/b4-3+
InChIKeyZKAMLGZWGPISLB-ONEGZZNKSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-N-[(E)-4-chlorobut-2-enyl]aniline
CID 81429828
methyl (Z)-4-[(4-bromonaphthalen-1-yl)amino]-2-ethylbut-2-enoate
CID 103263662
1,4-dibromonaphthalene
CID 162208061
4-bromo-N-(2,2-dimethoxyethyl)naphthalen-1-amine
CID 113384462
4-bromo-2-[[(E)-4-chlorobut-2-enyl]amino]benzonitrile
CID 107797842
2-bromo-N-[(E)-but-2-enyl]aniline
CID 12064676
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
CID 103390813
5-chloro-N-[(E)-4-chlorobut-2-enyl]-2-methylaniline
CID 81429643
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
4-bromo-2,3-dichloro-N-prop-2-enylaniline
CID 107789045

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine?
The IUPAC name of 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine (CID 113384488) is 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine.
What is the SMILES notation for 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine?
The canonical SMILES for 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine is ClC/C=C/CNc1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine?
The InChIKey is ZKAMLGZWGPISLB-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H13BrClN/c15-13-7-8-14(17-10-4-3-9-16)12-6-2-1-5-11(12)13/h1-8,17H,9-10H2/b4-3+.
What are the key properties of 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine?
4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine has a molecular weight of 310.62 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-4-chlorobut-2-enyl]naphthalen-1-amine is sourced from PubChem (CID 113384488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).